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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (52)transporters (5) Show 57 proteins XML

enzymes (52)transporters (5) Show 57 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:41:40 UTC

HMDB ID

HMDB0000125

Secondary Accession Numbers

HMDB0001463
HMDB0006960
HMDB00125
HMDB01463
HMDB06960

Metabolite Identification

Common Name

Glutathione

Description

Glutathione is a compound synthesized from cysteine, perhaps the most important member of the body's toxic waste disposal team. Like cysteine, glutathione contains the crucial thiol (-SH) group that makes it an effective antioxidant. There are virtually no living organisms on this planet-animal or plant whose cells don't contain some glutathione. Scientists have speculated that glutathione was essential to the very development of life on earth. glutathione has many roles; in none does it act alone. It is a coenzyme in various enzymatic reactions. The most important of these are redox reactions, in which the thiol grouping on the cysteine portion of cell membranes protects against peroxidation; and conjugation reactions, in which glutathione (especially in the liver) binds with toxic chemicals in order to detoxify them. glutathione is also important in red and white blood cell formation and throughout the immune system. glutathione's clinical uses include the prevention of oxygen toxicity in hyperbaric oxygen therapy, treatment of lead and other heavy metal poisoning, lowering of the toxicity of chemotherapy and radiation in cancer treatments, and reversal of cataracts. (http://www.dcnutrition.com/AminoAcids/) glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione to S-D-Lactoyl-glutathione. Glyoxalase II (EC 3.1.2.6) catalyzes the hydrolysis of S-D-Lactoyl-glutathione to glutathione and D-lactate. GSH is known as a substrate in both conjugation reactions and reduction reactions, catalyzed by glutathione S-transferase enzymes in cytosol, microsomes, and mitochondria. However, it is also capable of participating in non-enzymatic conjugation with some chemicals, as in the case of n-acetyl-p-benzoquinone imine (NAPQI), the reactive cytochrome P450-reactive metabolite formed by acetaminophen, that becomes toxic when GSH is depleted by an overdose (of acetaminophen). glutathione in this capacity binds to NAPQI as a suicide substrate and in the process detoxifies it, taking the place of cellular protein thiol groups which would otherwise be covalently modified; when all GSH has been spent, NAPQI begins to react with the cellular proteins, killing the cells in the process. The preferred treatment for an overdose of this painkiller is the administration (usually in atomized form) of N-acetylcysteine, which is used by cells to replace spent GSSG and renew the usable GSH pool. (http://en.wikipedia.org/wiki/glutathione).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0000125
     RDKit          3D
Glutathione
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.0693   -0.2304    1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.4408    1.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4971   -1.3945    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.7551   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -0.6084   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.5720   -0.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -0.8089   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.3075   -1.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5277    0.1198   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3782   -2.7227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    0.4190   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.3823    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.4339   -0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.5376    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243    2.6738    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    3.3601   -0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.9493    0.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.0201    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059   -1.2516    2.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3124    3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -1.0334    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.6940    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    0.5354    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -2.2785    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.9238   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -2.4129   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -2.3901    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.7677   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.2472   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    0.1004   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.9787   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.4917   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.1198   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    0.5823    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.6754    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    3.5933    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -1.0187    3.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

143
  Mrv1652309032023532D          

 20 19  0  0  1  0            999 V2000
    6.3799   -1.1096    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.1279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5220    0.5404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6655    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
 13  8  1  6  0  0  0
  8 15  1  0  0  0  0
 14  9  1  1  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000125

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

> <INCHI_KEY>
RWSXRVCMGQZWBV-WDSKDSINSA-N

> <FORMULA>
C10H17N3O6S

> <MOLECULAR_WEIGHT>
307.323

> <EXACT_MASS>
307.083805981

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.11283212542198

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid

> <ALOGPS_LOGP>
-2.74

> <JCHEM_LOGP>
-4.88467621618675

> <ALOGPS_LOGS>
-2.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.737311352465548

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9364037247697885

> <JCHEM_PKA_STRONGEST_BASIC>
9.223740958320658

> <JCHEM_POLAR_SURFACE_AREA>
158.82000000000002

> <JCHEM_REFRACTIVITY>
69.11490000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glutathione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000125
     RDKit          3D
Glutathione
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.0693   -0.2304    1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.4408    1.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4971   -1.3945    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.7551   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -0.6084   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.5720   -0.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -0.8089   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.3075   -1.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5277    0.1198   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3782   -2.7227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    0.4190   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.3823    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.4339   -0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.5376    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243    2.6738    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    3.3601   -0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.9493    0.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.0201    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059   -1.2516    2.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3124    3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -1.0334    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.6940    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    0.5354    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -2.2785    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.9238   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -2.4129   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -2.3901    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.7677   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.2472   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    0.1004   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.9787   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.4917   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.1198   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    0.5823    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.6754    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    3.5933    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -1.0187    3.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 143                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  S   UNK     0      11.909  -2.071   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0      10.576  -1.301   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      14.577   2.549   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.907   1.009   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.241  -1.301   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      19.911   1.009   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      18.578  -1.301   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      11.909   1.009   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       6.574   2.549   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      15.910   0.239   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       7.908   0.239   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.242   1.009   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.243   0.239   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.574   1.009   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.576   0.239   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.243  -1.301   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.577   1.009   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.241   0.239   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.244   1.009   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.578   0.239   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   15                                                            
CONECT    3   17                                                            
CONECT    4   18                                                            
CONECT    5   18                                                            
CONECT    6   20                                                            
CONECT    7   20                                                            
CONECT    8   13   15                                                       
CONECT    9   14                                                            
CONECT   10   17   19                                                       
CONECT   11   12   14                                                       
CONECT   12   11   15                                                       
CONECT   13    8   16   17                                                  
CONECT   14    9   11   18                                                  
CONECT   15    2    8   12                                                  
CONECT   16    1   13                                                       
CONECT   17    3   10   13                                                  
CONECT   18    4    5   14                                                  
CONECT   19   10   20                                                       
CONECT   20    6    7   19                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0000125
HETATM    1  N1  UNL     1       5.069  -0.230   1.525  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.642  -0.441   1.350  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.497  -1.395   0.201  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.095  -1.755  -0.157  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.259  -0.608  -0.558  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.724   0.572  -0.610  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.103  -0.809  -0.900  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.942   0.308  -1.297  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.528   0.120  -2.671  1.00  0.00           C  
HETATM   10  S1  UNL     1      -2.548  -1.378  -2.723  1.00  0.00           S  
HETATM   11  C7  UNL     1      -2.097   0.419  -0.341  1.00  0.00           C  
HETATM   12  O2  UNL     1      -2.209  -0.382   0.610  1.00  0.00           O  
HETATM   13  N3  UNL     1      -3.056   1.434  -0.520  1.00  0.00           N  
HETATM   14  C8  UNL     1      -4.165   1.538   0.403  1.00  0.00           C  
HETATM   15  C9  UNL     1      -5.024   2.674   0.002  1.00  0.00           C  
HETATM   16  O3  UNL     1      -4.728   3.360  -0.998  1.00  0.00           O  
HETATM   17  O4  UNL     1      -6.164   2.949   0.773  1.00  0.00           O  
HETATM   18  C10 UNL     1       3.040  -1.020   2.591  1.00  0.00           C  
HETATM   19  O5  UNL     1       1.806  -1.252   2.621  1.00  0.00           O  
HETATM   20  O6  UNL     1       3.802  -1.312   3.715  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.556  -1.033   1.949  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.305   0.694   1.913  1.00  0.00           H  
HETATM   23  H3  UNL     1       3.154   0.535   1.206  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.128  -2.279   0.437  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.967  -0.924  -0.712  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.179  -2.413  -1.075  1.00  0.00           H  
HETATM   27  H7  UNL     1       1.594  -2.390   0.602  1.00  0.00           H  
HETATM   28  H8  UNL     1      -0.494  -1.768  -0.861  1.00  0.00           H  
HETATM   29  H9  UNL     1      -0.370   1.247  -1.283  1.00  0.00           H  
HETATM   30  H10 UNL     1      -0.758   0.100  -3.464  1.00  0.00           H  
HETATM   31  H11 UNL     1      -2.196   0.979  -2.863  1.00  0.00           H  
HETATM   32  H12 UNL     1      -1.862  -2.492  -2.201  1.00  0.00           H  
HETATM   33  H13 UNL     1      -2.962   2.120  -1.332  1.00  0.00           H  
HETATM   34  H14 UNL     1      -4.760   0.582   0.417  1.00  0.00           H  
HETATM   35  H15 UNL     1      -3.752   1.675   1.428  1.00  0.00           H  
HETATM   36  H16 UNL     1      -6.846   3.593   0.396  1.00  0.00           H  
HETATM   37  H17 UNL     1       4.748  -1.019   3.854  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   18   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6    6    7
CONECT    7    8   28
CONECT    8    9   11   29
CONECT    9   10   30   31
CONECT   10   32
CONECT   11   12   12   13
CONECT   13   14   33
CONECT   14   15   34   35
CONECT   15   16   16   17
CONECT   17   36
CONECT   18   19   19   20
CONECT   20   37
END

HMDB0000125
     RDKit          3D
Glutathione
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.0693   -0.2304    1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.4408    1.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4971   -1.3945    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.7551   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -0.6084   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.5720   -0.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -0.8089   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.3075   -1.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5277    0.1198   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3782   -2.7227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    0.4190   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.3823    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.4339   -0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.5376    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243    2.6738    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    3.3601   -0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.9493    0.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.0201    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059   -1.2516    2.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3124    3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -1.0334    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.6940    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    0.5354    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -2.2785    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.9238   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -2.4129   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -2.3901    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.7677   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.2472   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    0.1004   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.9787   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.4917   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.1198   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    0.5823    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.6754    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    3.5933    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -1.0187    3.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
5-L-Glutamyl-L-cysteinylglycine	ChEBI
gamma-L-Glutamyl-L-cysteinyl-glycine	ChEBI
Glutathione-SH	ChEBI
GSH	ChEBI
N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine	ChEBI
Reduced glutathione	ChEBI
Poly(gamma-glutamylcysteine)glycine	Kegg
(gamma-Glutamylcysteine)N-glycine	Kegg
Tathion	Kegg
g-L-Glutamyl-L-cysteinyl-glycine	Generator
Γ-L-glutamyl-L-cysteinyl-glycine	Generator
N-(N-g-L-Glutamyl-L-cysteinyl)glycine	Generator
N-(N-Γ-L-glutamyl-L-cysteinyl)glycine	Generator
Poly(g-glutamylcysteine)glycine	Generator
Poly(γ-glutamylcysteine)glycine	Generator
(g-Glutamylcysteine)N-glycine	Generator
(Γ-glutamylcysteine)N-glycine	Generator
Agifutol S	HMDB
Bakezyme RX	HMDB
Copren	HMDB
Deltathione	HMDB
gamma-Glutamylcysteinylglycine	HMDB
gamma-L-Glutamyl-L-cysteinylglycine	HMDB
Glutathion	HMDB
Glutathione red	HMDB
Glutathione reduced	HMDB
Glutatiol	HMDB
Glutatione	HMDB
Glutide	HMDB
Glutinal	HMDB
Isethion	HMDB
L-g-Glutamyl-L-cysteinyl-glycine	HMDB
L-gamma-Glutamyl-L-cysteinyl-glycine	HMDB
L-gamma-Glutamyl-L-cysteinylglycine	HMDB
L-Glutamyl-L-cysteinylglycine	HMDB
L-Glutathione	HMDB
L-Glutathione reduce	HMDB
Ledac	HMDB
Neuthion	HMDB
Red. glutathione	HMDB
Tathione	HMDB
Triptide	HMDB
Glutathione, reduced	HMDB
gamma L Glu L cys gly	HMDB
gamma-L-Glu-L-cys-gly	HMDB
gamma L Glutamyl L cysteinylglycine	HMDB

Chemical Formula

C₁₀H₁₇N₃O₆S

Average Molecular Weight

307.323

Monoisotopic Molecular Weight

307.083805981

IUPAC Name

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid

Traditional Name

glutathione

CAS Registry Number

70-18-8

SMILES

N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChI Key

RWSXRVCMGQZWBV-WDSKDSINSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty acid
Amino acid or derivatives
Amino acid
Alkylthiol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Amine
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Organopnictogen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

thiol (CHEBI:16856 )
L-cysteine derivative (CHEBI:16856 )
tripeptide (CHEBI:16856 )
Coenzymes (C00051 )

Ontology

Physiological effect

Health effect

Schizophrenia (HMDB: HMDB0000125)
Multiple sclerosis (HMDB: HMDB0000125)
Traumatic brain injury (HMDB: HMDB0000125)

Disposition

Biological location

Tissue

All Tissues (HMDB: HMDB0000125)

Organ

Placenta (HMDB: HMDB0000125)

Biofluid or Excreta

Excreta

Urine (PMID: 15702405)

Non-excretory biofluid

Cellular Cytoplasm (PMID: 15882454)
Cerebrospinal Fluid (CSF) (PMID: 11978879)
Blood (PMID: 16139832)
Saliva (PMID: 14637266)

Cellular substructure

Organelle

Endoplasmic reticulum (HMDB: HMDB0000125)

Mitochondria

Mitochondria (HMDB: HMDB0000125)

Tissue substructure

All tissues (HMDB: HMDB0000125)
All tissues (HMDB: HMDB0000125)

Cytoplasm (HMDB: HMDB0000125)
Extracellular (HMDB: HMDB0000125)
Endoplasmic reticulum (HMDB: HMDB0000125)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0000125)

Source

Endogenous

Endogenous (HMDB: HMDB0000125)

Plant

Animal

Animal (HMDB: HMDB0000125)

Exogenous

Food

Food (HMDB: HMDB0000125)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

Allium (FooDB: FOOD00005)
Garden onion (FooDB: FOOD00006)
Leek (FooDB: FOOD00007)
Garden onion (var.) (FooDB: FOOD00226)
Shallot (FooDB: FOOD00243)
Wild leek (FooDB: FOOD00396)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)
Onion-family vegetables (FooDB: FOOD00855)

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Citrus (FooDB: FOOD00859)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Fruits (FooDB: FOOD00871)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Mixed nuts (FooDB: FOOD00771)
Nuts (FooDB: FOOD00869)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Synthetic

Personal care products

Personal care products (HMDB: HMDB0000125)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Glutamate Metabolism (HMDB: HMDB0000125)
Glutathione Metabolism (HMDB: HMDB0000125)
Arachidonic Acid Metabolism (HMDB: HMDB0000125)
Pyruvaldehyde Degradation (HMDB: HMDB0000125)
Pyruvate Metabolism (PathBank: SMP0087394)
Cyclophosphamide Metabolism Pathway (PathBank: SMP0000604)
Acetaminophen Metabolism Pathway (PathBank: SMP0000640)
Selenium Metabolism (PathBank: SMP0001908)
Glutathione Metabolism II (PathBank: SMP0001941)
Glutathione Metabolism III (PathBank: SMP0002032)
Methylglyoxal Degradation I (PathBank: SMP0002125)
Tryptophan Metabolism (PathBank: SMP0002445)
Drosopterin and Aurodrosopterin Biosynthesis (PathBank: SMP0121064)
Arsenate Detoxification (PathBank: SMP0121123)
Camalexin Biosynthesis (PathBank: SMP0121212)

Disease pathway

gamma-Glutamyltransferase Deficiency (HMDB: HMDB0000125)
5-Oxoprolinase Deficiency (PathBank: SMP0000500)
4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency (PathBank: SMP0000243)
Homocarnosinosis (PathBank: SMP0000385)
Hyperinsulinism-Hyperammonemia Syndrome (PathBank: SMP0000339)
Glutathione Synthetase Deficiency (PathBank: SMP0000337)
5-Oxoprolinuria (PathBank: SMP0000143)
Leigh Syndrome (PathBank: SMP0000196)
Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency) (PathBank: SMP0000334)
Pyruvate Dehydrogenase Complex Deficiency (PathBank: SMP0000212)
Leukotriene C4 Synthesis Deficiency (PathBank: SMP0000353)
2-Hydroxyglutric Aciduria (D and L Form) (PathBank: SMP0000136)
gamma-Glutamyltranspeptidase Deficiency (PathBank: SMP0000501)
Primary Hyperoxaluria II, PH2 (PathBank: SMP0000558)
Pyruvate Kinase Deficiency (PathBank: SMP0000559)
Succinic Semialdehyde Dehydrogenase Deficiency (PathBank: SMP0000567)

Acetaminophen Action Pathway (HMDB: HMDB0000125)

Drug action pathway

Oxaprozin Action Pathway (PathBank: SMP0000113)
Nabumetone Action Pathway (PathBank: SMP0000114)
Naproxen Action Pathway (PathBank: SMP0000120)
Diflunisal Action Pathway (PathBank: SMP0000289)
Meloxicam Action Pathway (PathBank: SMP0000106)
Valdecoxib Action Pathway (PathBank: SMP0000116)
Piroxicam Action Pathway (PathBank: SMP0000077)
Acetylsalicylic Acid Action Pathway (PathBank: SMP0000083)
Etodolac Action Pathway (PathBank: SMP0000084)
Ketoprofen Action Pathway (PathBank: SMP0000085)
Ibuprofen Action Pathway (PathBank: SMP0000086)
Rofecoxib Action Pathway (PathBank: SMP0000087)
Diclofenac Action Pathway (PathBank: SMP0000093)
Sulindac Action Pathway (PathBank: SMP0000094)
Celecoxib Action Pathway (PathBank: SMP0000096)
Ketorolac Action Pathway (PathBank: SMP0000098)
Cyclophosphamide Action Pathway (PathBank: SMP0000447)
Suprofen Action Pathway (PathBank: SMP0000101)
Bromfenac Action Pathway (PathBank: SMP0000102)
Indomethacin Action Pathway (PathBank: SMP0000104)
Mefenamic Acid Action Pathway (PathBank: SMP0000109)
Antipyrine Action Pathway (PathBank: SMP0000692)
Antrafenine Action Pathway (PathBank: SMP0000693)
Carprofen Action Pathway (PathBank: SMP0000694)
Etoricoxib Action Pathway (PathBank: SMP0000695)
Fenoprofen Action Pathway (PathBank: SMP0000696)
Flurbiprofen Action Pathway (PathBank: SMP0000697)
Magnesium Salicylate Action Pathway (PathBank: SMP0000698)
Lumiracoxib Action Pathway (PathBank: SMP0000699)
Lornoxicam Action Pathway (PathBank: SMP0000700)
Phenylbutazone Action Pathway (PathBank: SMP0000701)
Nepafenac Action Pathway (PathBank: SMP0000702)
Trisalicylate-Choline Action Pathway (PathBank: SMP0000703)
Tolmetin Action Pathway (PathBank: SMP0000704)
Tiaprofenic Acid Action Pathway (PathBank: SMP0000705)
Tenoxicam Action Pathway (PathBank: SMP0000706)
Salsalate Action Pathway (PathBank: SMP0000707)
Salicylate-Sodium Action Pathway (PathBank: SMP0000708)
Salicylic Acid Action Pathway (PathBank: SMP0000709)
Acetaminophen Action Pathway (PathBank: SMP0000710)

Role

Industrial application

Personal care product

Personal care product (HMDB: HMDB0000125)

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

antidote (HMDB: HMDB0000125)

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0000125)

Biomarker

Schizophrenia (MarkerDB: MDB00000060)
Multiple sclerosis (MarkerDB: MDB00000060)
Canavan disease (MarkerDB: MDB00000060)

EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (HMDB: HMDB0000125)
angiotensin converting enzyme inhibitor (HMDB: HMDB0000125)

Indirect biological role

antioxidant (HMDB: HMDB0000125)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	195 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	292.5 mg/mL	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	164.245	30932474
[M-H]-	Not Available	161.9	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000074
[M+H]+	Not Available	167.9	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000074

Predicted Molecular Properties

Property	Value	Source
logP	-2.7	ALOGPS
logP	-4.9	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	1.94	ChemAxon
pKa (Strongest Basic)	9.22	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	158.82 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	69.11 m³·mol⁻¹	ChemAxon
Polarizability	29.11 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	170.648	31661259
DarkChem	[M+H]+	170.648	31661259
DarkChem	[M-H]-	165.026	31661259
DarkChem	[M-H]-	165.026	31661259
AllCCS	[M+H]+	165.422	32859911
AllCCS	[M-H]-	165.655	32859911
DeepCCS	[M+H]+	168.305	30932474
DeepCCS	[M-H]-	165.947	30932474
DeepCCS	[M-2H]-	198.882	30932474
DeepCCS	[M+Na]+	174.398	30932474
AllCCS	[M+H]+	165.4	32859911
AllCCS	[M+H-H2O]+	162.7	32859911
AllCCS	[M+NH4]+	168.0	32859911
AllCCS	[M+Na]+	168.7	32859911
AllCCS	[M-H]-	165.7	32859911
AllCCS	[M+Na-2H]-	166.2	32859911
AllCCS	[M+HCOO]-	167.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	3905.4	Standard polar	33892256
Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	2417.7	Standard non polar	33892256
Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	3216.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutathione,1TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O	2805.9	Semi standard non polar	33892256
Glutathione,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O	2768.8	Semi standard non polar	33892256
Glutathione,1TMS,isomer #3	C[Si](C)(C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	2899.5	Semi standard non polar	33892256
Glutathione,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O	2849.4	Semi standard non polar	33892256
Glutathione,1TMS,isomer #5	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CS)C(=O)NCC(=O)O	2808.2	Semi standard non polar	33892256
Glutathione,1TMS,isomer #6	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O	2826.0	Semi standard non polar	33892256
Glutathione,2TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	2769.5	Semi standard non polar	33892256
Glutathione,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	2936.6	Semi standard non polar	33892256
Glutathione,2TMS,isomer #11	C[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2845.4	Semi standard non polar	33892256
Glutathione,2TMS,isomer #12	C[Si](C)(C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	2883.0	Semi standard non polar	33892256
Glutathione,2TMS,isomer #13	C[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C	2930.5	Semi standard non polar	33892256
Glutathione,2TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	2844.0	Semi standard non polar	33892256
Glutathione,2TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	2864.3	Semi standard non polar	33892256
Glutathione,2TMS,isomer #16	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2746.7	Semi standard non polar	33892256
Glutathione,2TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	2864.5	Semi standard non polar	33892256
Glutathione,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	2849.1	Semi standard non polar	33892256
Glutathione,2TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2781.0	Semi standard non polar	33892256
Glutathione,2TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2760.9	Semi standard non polar	33892256
Glutathione,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O	2843.9	Semi standard non polar	33892256
Glutathione,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	2821.6	Semi standard non polar	33892256
Glutathione,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C	2743.3	Semi standard non polar	33892256
Glutathione,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C	2755.9	Semi standard non polar	33892256
Glutathione,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	2846.8	Semi standard non polar	33892256
Glutathione,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	2788.4	Standard non polar	33892256
Glutathione,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	4692.5	Standard polar	33892256
Glutathione,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2812.7	Semi standard non polar	33892256
Glutathione,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2700.1	Standard non polar	33892256
Glutathione,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3904.1	Standard polar	33892256
Glutathione,3TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2744.4	Semi standard non polar	33892256
Glutathione,3TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2720.9	Standard non polar	33892256
Glutathione,3TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4235.7	Standard polar	33892256
Glutathione,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	2907.9	Semi standard non polar	33892256
Glutathione,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	2797.5	Standard non polar	33892256
Glutathione,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	4331.3	Standard polar	33892256
Glutathione,3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	2810.4	Semi standard non polar	33892256
Glutathione,3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	2816.6	Standard non polar	33892256
Glutathione,3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	4633.3	Standard polar	33892256
Glutathione,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2854.7	Semi standard non polar	33892256
Glutathione,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2799.3	Standard non polar	33892256
Glutathione,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4558.1	Standard polar	33892256
Glutathione,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2920.5	Semi standard non polar	33892256
Glutathione,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2707.7	Standard non polar	33892256
Glutathione,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3942.1	Standard polar	33892256
Glutathione,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2781.4	Semi standard non polar	33892256
Glutathione,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2715.3	Standard non polar	33892256
Glutathione,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3845.2	Standard polar	33892256
Glutathione,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2806.3	Semi standard non polar	33892256
Glutathione,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2678.7	Standard non polar	33892256
Glutathione,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3846.0	Standard polar	33892256
Glutathione,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2733.9	Semi standard non polar	33892256
Glutathione,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2701.7	Standard non polar	33892256
Glutathione,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4106.7	Standard polar	33892256
Glutathione,3TMS,isomer #19	C[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3025.7	Semi standard non polar	33892256
Glutathione,3TMS,isomer #19	C[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	2877.4	Standard non polar	33892256
Glutathione,3TMS,isomer #19	C[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4422.0	Standard polar	33892256
Glutathione,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2813.0	Semi standard non polar	33892256
Glutathione,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.7	Standard non polar	33892256
Glutathione,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3831.7	Standard polar	33892256
Glutathione,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	2894.2	Semi standard non polar	33892256
Glutathione,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	2863.4	Standard non polar	33892256
Glutathione,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	4399.4	Standard polar	33892256
Glutathione,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	2938.7	Semi standard non polar	33892256
Glutathione,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	2856.3	Standard non polar	33892256
Glutathione,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	4304.2	Standard polar	33892256
Glutathione,3TMS,isomer #22	C[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2841.3	Semi standard non polar	33892256
Glutathione,3TMS,isomer #22	C[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2872.5	Standard non polar	33892256
Glutathione,3TMS,isomer #22	C[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4746.9	Standard polar	33892256
Glutathione,3TMS,isomer #23	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CS)C(=O)NCC(=O)O	2911.9	Semi standard non polar	33892256
Glutathione,3TMS,isomer #23	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CS)C(=O)NCC(=O)O	2775.1	Standard non polar	33892256
Glutathione,3TMS,isomer #23	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CS)C(=O)NCC(=O)O	3984.1	Standard polar	33892256
Glutathione,3TMS,isomer #24	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2919.0	Semi standard non polar	33892256
Glutathione,3TMS,isomer #24	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2739.8	Standard non polar	33892256
Glutathione,3TMS,isomer #24	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3977.8	Standard polar	33892256
Glutathione,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2790.9	Semi standard non polar	33892256
Glutathione,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2734.2	Standard non polar	33892256
Glutathione,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3905.3	Standard polar	33892256
Glutathione,3TMS,isomer #3	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2718.9	Semi standard non polar	33892256
Glutathione,3TMS,isomer #3	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2671.5	Standard non polar	33892256
Glutathione,3TMS,isomer #3	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4125.4	Standard polar	33892256
Glutathione,3TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2727.5	Semi standard non polar	33892256
Glutathione,3TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2713.0	Standard non polar	33892256
Glutathione,3TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4085.7	Standard polar	33892256
Glutathione,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	2932.5	Semi standard non polar	33892256
Glutathione,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	2845.5	Standard non polar	33892256
Glutathione,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	4421.5	Standard polar	33892256
Glutathione,3TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2843.4	Semi standard non polar	33892256
Glutathione,3TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2840.2	Standard non polar	33892256
Glutathione,3TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4804.3	Standard polar	33892256
Glutathione,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2813.7	Semi standard non polar	33892256
Glutathione,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2868.7	Standard non polar	33892256
Glutathione,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4836.1	Standard polar	33892256
Glutathione,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2944.5	Semi standard non polar	33892256
Glutathione,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2754.8	Standard non polar	33892256
Glutathione,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3962.8	Standard polar	33892256
Glutathione,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2791.7	Semi standard non polar	33892256
Glutathione,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2749.3	Standard non polar	33892256
Glutathione,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3880.9	Standard polar	33892256
Glutathione,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2905.4	Semi standard non polar	33892256
Glutathione,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2856.7	Standard non polar	33892256
Glutathione,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3890.5	Standard polar	33892256
Glutathione,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2891.8	Semi standard non polar	33892256
Glutathione,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2884.2	Standard non polar	33892256
Glutathione,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3922.7	Standard polar	33892256
Glutathione,4TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2827.3	Semi standard non polar	33892256
Glutathione,4TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2903.4	Standard non polar	33892256
Glutathione,4TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4450.2	Standard polar	33892256
Glutathione,4TMS,isomer #12	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2909.3	Semi standard non polar	33892256
Glutathione,4TMS,isomer #12	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2825.5	Standard non polar	33892256
Glutathione,4TMS,isomer #12	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3754.7	Standard polar	33892256
Glutathione,4TMS,isomer #13	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2901.1	Semi standard non polar	33892256
Glutathione,4TMS,isomer #13	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2877.1	Standard non polar	33892256
Glutathione,4TMS,isomer #13	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3731.0	Standard polar	33892256
Glutathione,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2752.0	Semi standard non polar	33892256
Glutathione,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2828.1	Standard non polar	33892256
Glutathione,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3681.5	Standard polar	33892256
Glutathione,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3007.5	Semi standard non polar	33892256
Glutathione,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2886.0	Standard non polar	33892256
Glutathione,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3960.1	Standard polar	33892256
Glutathione,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2853.1	Semi standard non polar	33892256
Glutathione,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2878.3	Standard non polar	33892256
Glutathione,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3863.3	Standard polar	33892256
Glutathione,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2900.3	Semi standard non polar	33892256
Glutathione,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2872.1	Standard non polar	33892256
Glutathione,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3811.0	Standard polar	33892256
Glutathione,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2839.8	Semi standard non polar	33892256
Glutathione,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2864.8	Standard non polar	33892256
Glutathione,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4238.0	Standard polar	33892256
Glutathione,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2925.3	Semi standard non polar	33892256
Glutathione,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2842.6	Standard non polar	33892256
Glutathione,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3715.8	Standard polar	33892256
Glutathione,4TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2792.7	Semi standard non polar	33892256
Glutathione,4TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2833.8	Standard non polar	33892256
Glutathione,4TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4325.9	Standard polar	33892256
Glutathione,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2925.5	Semi standard non polar	33892256
Glutathione,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2798.4	Standard non polar	33892256
Glutathione,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3723.5	Standard polar	33892256
Glutathione,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2736.1	Semi standard non polar	33892256
Glutathione,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2814.0	Standard non polar	33892256
Glutathione,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3645.0	Standard polar	33892256
Glutathione,4TMS,isomer #22	C[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2983.9	Semi standard non polar	33892256
Glutathione,4TMS,isomer #22	C[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2968.3	Standard non polar	33892256
Glutathione,4TMS,isomer #22	C[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4002.1	Standard polar	33892256
Glutathione,4TMS,isomer #23	C[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3034.9	Semi standard non polar	33892256
Glutathione,4TMS,isomer #23	C[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2958.1	Standard non polar	33892256
Glutathione,4TMS,isomer #23	C[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3933.2	Standard polar	33892256
Glutathione,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2887.8	Semi standard non polar	33892256
Glutathione,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2927.1	Standard non polar	33892256
Glutathione,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3904.4	Standard polar	33892256
Glutathione,4TMS,isomer #25	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.4	Semi standard non polar	33892256
Glutathione,4TMS,isomer #25	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2874.6	Standard non polar	33892256
Glutathione,4TMS,isomer #25	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3751.6	Standard polar	33892256
Glutathione,4TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2781.8	Semi standard non polar	33892256
Glutathione,4TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2855.8	Standard non polar	33892256
Glutathione,4TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4338.6	Standard polar	33892256
Glutathione,4TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2929.1	Semi standard non polar	33892256
Glutathione,4TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2813.3	Standard non polar	33892256
Glutathione,4TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3708.5	Standard polar	33892256
Glutathione,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.6	Semi standard non polar	33892256
Glutathione,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2820.0	Standard non polar	33892256
Glutathione,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3619.1	Standard polar	33892256
Glutathione,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2751.2	Semi standard non polar	33892256
Glutathione,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2770.0	Standard non polar	33892256
Glutathione,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3646.3	Standard polar	33892256
Glutathione,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2704.3	Semi standard non polar	33892256
Glutathione,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2792.9	Standard non polar	33892256
Glutathione,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3885.8	Standard polar	33892256
Glutathione,4TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3030.7	Semi standard non polar	33892256
Glutathione,4TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2935.0	Standard non polar	33892256
Glutathione,4TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3991.1	Standard polar	33892256
Glutathione,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2868.5	Semi standard non polar	33892256
Glutathione,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2908.5	Standard non polar	33892256
Glutathione,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3927.1	Standard polar	33892256
Glutathione,5TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2993.9	Semi standard non polar	33892256
Glutathione,5TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2936.0	Standard non polar	33892256
Glutathione,5TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3606.7	Standard polar	33892256
Glutathione,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2867.6	Semi standard non polar	33892256
Glutathione,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2960.1	Standard non polar	33892256
Glutathione,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3562.0	Standard polar	33892256
Glutathione,5TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2913.0	Semi standard non polar	33892256
Glutathione,5TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2961.6	Standard non polar	33892256
Glutathione,5TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3577.5	Standard polar	33892256
Glutathione,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2996.6	Semi standard non polar	33892256
Glutathione,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2971.6	Standard non polar	33892256
Glutathione,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3596.4	Standard polar	33892256
Glutathione,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3009.7	Semi standard non polar	33892256
Glutathione,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2957.9	Standard non polar	33892256
Glutathione,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3558.9	Standard polar	33892256
Glutathione,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2857.8	Semi standard non polar	33892256
Glutathione,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2949.9	Standard non polar	33892256
Glutathione,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3469.9	Standard polar	33892256
Glutathione,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2930.5	Semi standard non polar	33892256
Glutathione,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2938.8	Standard non polar	33892256
Glutathione,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3558.3	Standard polar	33892256
Glutathione,5TMS,isomer #16	C[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3023.5	Semi standard non polar	33892256
Glutathione,5TMS,isomer #16	C[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3041.4	Standard non polar	33892256
Glutathione,5TMS,isomer #16	C[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3639.3	Standard polar	33892256
Glutathione,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2817.2	Semi standard non polar	33892256
Glutathione,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2930.7	Standard non polar	33892256
Glutathione,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3457.9	Standard polar	33892256
Glutathione,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2835.9	Semi standard non polar	33892256
Glutathione,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2913.1	Standard non polar	33892256
Glutathione,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3485.7	Standard polar	33892256
Glutathione,5TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2780.2	Semi standard non polar	33892256
Glutathione,5TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2911.8	Standard non polar	33892256
Glutathione,5TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4055.4	Standard polar	33892256
Glutathione,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2864.7	Semi standard non polar	33892256
Glutathione,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2885.3	Standard non polar	33892256
Glutathione,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3556.7	Standard polar	33892256
Glutathione,5TMS,isomer #6	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2899.1	Semi standard non polar	33892256
Glutathione,5TMS,isomer #6	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2939.7	Standard non polar	33892256
Glutathione,5TMS,isomer #6	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3530.4	Standard polar	33892256
Glutathione,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2694.0	Semi standard non polar	33892256
Glutathione,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2903.0	Standard non polar	33892256
Glutathione,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3472.1	Standard polar	33892256
Glutathione,5TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2999.7	Semi standard non polar	33892256
Glutathione,5TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2986.6	Standard non polar	33892256
Glutathione,5TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3612.6	Standard polar	33892256
Glutathione,5TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2992.8	Semi standard non polar	33892256
Glutathione,5TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3013.2	Standard non polar	33892256
Glutathione,5TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3609.7	Standard polar	33892256
Glutathione,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2967.4	Semi standard non polar	33892256
Glutathione,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2995.1	Standard non polar	33892256
Glutathione,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3293.0	Standard polar	33892256
Glutathione,6TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2987.1	Semi standard non polar	33892256
Glutathione,6TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3015.8	Standard non polar	33892256
Glutathione,6TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3279.3	Standard polar	33892256
Glutathione,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2812.5	Semi standard non polar	33892256
Glutathione,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2989.9	Standard non polar	33892256
Glutathione,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3187.5	Standard polar	33892256
Glutathione,6TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2916.4	Semi standard non polar	33892256
Glutathione,6TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3025.6	Standard non polar	33892256
Glutathione,6TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3433.6	Standard polar	33892256
Glutathione,6TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3004.7	Semi standard non polar	33892256
Glutathione,6TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3068.2	Standard non polar	33892256
Glutathione,6TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3327.9	Standard polar	33892256
Glutathione,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3019.7	Semi standard non polar	33892256
Glutathione,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3046.6	Standard non polar	33892256
Glutathione,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3290.2	Standard polar	33892256
Glutathione,7TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3016.4	Semi standard non polar	33892256
Glutathione,7TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3081.6	Standard non polar	33892256
Glutathione,7TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3108.7	Standard polar	33892256
Glutathione,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O	3091.4	Semi standard non polar	33892256
Glutathione,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O	3057.5	Semi standard non polar	33892256
Glutathione,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	3168.9	Semi standard non polar	33892256
Glutathione,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O	3119.1	Semi standard non polar	33892256
Glutathione,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CS)C(=O)NCC(=O)O	3090.2	Semi standard non polar	33892256
Glutathione,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O	3096.6	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	3277.2	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	3410.5	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3351.3	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3354.2	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3427.1	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3340.9	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3332.4	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3247.5	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	3374.4	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3345.8	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3285.8	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3292.7	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3319.2	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3304.8	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3266.0	Semi standard non polar	33892256
Glutathione,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3256.9	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	3588.2	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	3362.7	Standard non polar	33892256
Glutathione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4480.3	Standard polar	33892256
Glutathione,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3530.8	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3241.5	Standard non polar	33892256
Glutathione,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4013.9	Standard polar	33892256
Glutathione,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3459.6	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3274.9	Standard non polar	33892256
Glutathione,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4243.8	Standard polar	33892256
Glutathione,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3606.3	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3350.4	Standard non polar	33892256
Glutathione,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4155.1	Standard polar	33892256
Glutathione,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3555.9	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3388.3	Standard non polar	33892256
Glutathione,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	4432.9	Standard polar	33892256
Glutathione,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3552.2	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3361.2	Standard non polar	33892256
Glutathione,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4409.3	Standard polar	33892256
Glutathione,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3642.6	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.9	Standard non polar	33892256
Glutathione,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4014.1	Standard polar	33892256
Glutathione,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3514.0	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3246.6	Standard non polar	33892256
Glutathione,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3962.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3501.0	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3215.6	Standard non polar	33892256
Glutathione,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3980.4	Standard polar	33892256
Glutathione,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3431.6	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3252.6	Standard non polar	33892256
Glutathione,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4174.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3729.4	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3405.5	Standard non polar	33892256
Glutathione,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4217.2	Standard polar	33892256
Glutathione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3530.9	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3231.1	Standard non polar	33892256
Glutathione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3958.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3613.5	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3393.4	Standard non polar	33892256
Glutathione,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	4200.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3606.3	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3389.8	Standard non polar	33892256
Glutathione,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	4163.0	Standard polar	33892256
Glutathione,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3535.9	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3401.6	Standard non polar	33892256
Glutathione,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	4530.9	Standard polar	33892256
Glutathione,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CS)C(=O)NCC(=O)O	3633.4	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CS)C(=O)NCC(=O)O	3284.9	Standard non polar	33892256
Glutathione,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CS)C(=O)NCC(=O)O	4029.6	Standard polar	33892256
Glutathione,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3609.9	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.2	Standard non polar	33892256
Glutathione,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4044.8	Standard polar	33892256
Glutathione,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3499.2	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3268.1	Standard non polar	33892256
Glutathione,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4014.2	Standard polar	33892256
Glutathione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3484.8	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3236.1	Standard non polar	33892256
Glutathione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4192.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3484.7	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3259.5	Standard non polar	33892256
Glutathione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4155.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3649.8	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3384.5	Standard non polar	33892256
Glutathione,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4208.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3574.8	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3394.4	Standard non polar	33892256
Glutathione,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	4567.7	Standard polar	33892256
Glutathione,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3581.0	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3409.1	Standard non polar	33892256
Glutathione,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	4564.6	Standard polar	33892256
Glutathione,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3648.6	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3258.2	Standard non polar	33892256
Glutathione,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4024.4	Standard polar	33892256
Glutathione,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3538.5	Semi standard non polar	33892256
Glutathione,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3272.8	Standard non polar	33892256
Glutathione,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3985.6	Standard polar	33892256
Glutathione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3815.7	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3519.7	Standard non polar	33892256
Glutathione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3933.4	Standard polar	33892256
Glutathione,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3815.5	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3552.4	Standard non polar	33892256
Glutathione,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3970.7	Standard polar	33892256
Glutathione,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3753.7	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3581.7	Standard non polar	33892256
Glutathione,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4354.0	Standard polar	33892256
Glutathione,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3839.1	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3490.8	Standard non polar	33892256
Glutathione,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3937.5	Standard polar	33892256
Glutathione,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3859.7	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3528.8	Standard non polar	33892256
Glutathione,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.3	Standard polar	33892256
Glutathione,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3690.7	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3507.0	Standard non polar	33892256
Glutathione,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3902.1	Standard polar	33892256
Glutathione,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3939.4	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3563.8	Standard non polar	33892256
Glutathione,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3977.6	Standard polar	33892256
Glutathione,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3793.3	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3541.5	Standard non polar	33892256
Glutathione,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3931.3	Standard polar	33892256
Glutathione,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3784.8	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3527.3	Standard non polar	33892256
Glutathione,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3920.2	Standard polar	33892256
Glutathione,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3731.9	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3545.7	Standard non polar	33892256
Glutathione,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4229.3	Standard polar	33892256
Glutathione,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3855.0	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3513.2	Standard non polar	33892256
Glutathione,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3899.5	Standard polar	33892256
Glutathione,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3755.4	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3529.1	Standard non polar	33892256
Glutathione,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4251.5	Standard polar	33892256
Glutathione,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3840.6	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3472.3	Standard non polar	33892256
Glutathione,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3925.6	Standard polar	33892256
Glutathione,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3658.1	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3482.2	Standard non polar	33892256
Glutathione,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3881.2	Standard polar	33892256
Glutathione,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3932.8	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3609.3	Standard non polar	33892256
Glutathione,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4005.7	Standard polar	33892256
Glutathione,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3918.7	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3593.7	Standard non polar	33892256
Glutathione,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3983.7	Standard polar	33892256
Glutathione,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3780.5	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3569.7	Standard non polar	33892256
Glutathione,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3982.4	Standard polar	33892256
Glutathione,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3806.1	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.8	Standard non polar	33892256
Glutathione,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3943.6	Standard polar	33892256
Glutathione,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3764.8	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3540.5	Standard non polar	33892256
Glutathione,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4245.0	Standard polar	33892256
Glutathione,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3845.2	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3467.2	Standard non polar	33892256
Glutathione,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3894.7	Standard polar	33892256
Glutathione,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3691.5	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3487.3	Standard non polar	33892256
Glutathione,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3844.7	Standard polar	33892256
Glutathione,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3693.2	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3450.1	Standard non polar	33892256
Glutathione,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3876.7	Standard polar	33892256
Glutathione,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3637.0	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3480.5	Standard non polar	33892256
Glutathione,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4077.5	Standard polar	33892256
Glutathione,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3956.0	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3579.8	Standard non polar	33892256
Glutathione,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3988.4	Standard polar	33892256
Glutathione,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3823.0	Semi standard non polar	33892256
Glutathione,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3560.9	Standard non polar	33892256
Glutathione,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3961.9	Standard polar	33892256
Glutathione,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4153.4	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3704.0	Standard non polar	33892256
Glutathione,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3793.9	Standard polar	33892256
Glutathione,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3980.1	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3721.3	Standard non polar	33892256
Glutathione,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3808.5	Standard polar	33892256
Glutathione,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4029.6	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3743.4	Standard non polar	33892256
Glutathione,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3899.6	Standard polar	33892256
Glutathione,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4146.7	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3739.8	Standard non polar	33892256
Glutathione,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3792.8	Standard polar	33892256
Glutathione,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4136.1	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3726.9	Standard non polar	33892256
Glutathione,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3779.5	Standard polar	33892256
Glutathione,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3948.1	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3703.1	Standard non polar	33892256
Glutathione,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3764.5	Standard polar	33892256
Glutathione,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4019.5	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3724.3	Standard non polar	33892256
Glutathione,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3891.8	Standard polar	33892256
Glutathione,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4113.1	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3774.0	Standard non polar	33892256
Glutathione,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3828.7	Standard polar	33892256
Glutathione,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3984.5	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3684.0	Standard non polar	33892256
Glutathione,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3745.7	Standard polar	33892256
Glutathione,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3963.0	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3680.6	Standard non polar	33892256
Glutathione,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3759.9	Standard polar	33892256
Glutathione,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3936.8	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3704.3	Standard non polar	33892256
Glutathione,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4104.5	Standard polar	33892256
Glutathione,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4049.2	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3688.5	Standard non polar	33892256
Glutathione,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3877.9	Standard polar	33892256
Glutathione,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4053.9	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3723.9	Standard non polar	33892256
Glutathione,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3846.0	Standard polar	33892256
Glutathione,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3842.9	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3694.9	Standard non polar	33892256
Glutathione,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CS)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3837.8	Standard polar	33892256
Glutathione,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4146.8	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3744.8	Standard non polar	33892256
Glutathione,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CS[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3798.4	Standard polar	33892256
Glutathione,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4157.3	Semi standard non polar	33892256
Glutathione,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3749.7	Standard non polar	33892256
Glutathione,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CS[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3792.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-0a4i-0900000000-5841845f736f9a667622	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-0a4i-0900000000-bdecde153761cb67852e	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Non-derivatized)	splash10-0a4i-0900000000-5841845f736f9a667622	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Non-derivatized)	splash10-0a4i-0900000000-bdecde153761cb67852e	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Non-derivatized)	splash10-0a4i-1910000000-52bc43dd913b68d74f84	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Non-derivatized)	splash10-08fs-3960000000-63ce34def2ae94b95515	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Glutathione GC-EI-TOF (Non-derivatized)	splash10-0pb9-0921000000-88168b0a9f5fc5fead3f	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-7890000000-5853006f66d946dd3d2e	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (2 TMS) - 70eV, Positive	splash10-0596-9112300000-e82cf72540c283d8e323	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathione GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-004i-3795000000-d019cd7dcbad1f8a9e78	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-003r-9400000000-a83bf6292d41988256e3	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-001i-9000000000-305a92f8a9ffea58fa0e	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0a4i-0009000000-e950bfc5867b391c6960	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-004i-0910000000-83f6c079d1112e74ecf4	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-003r-0910000000-5b243cf8bd357ab270b1	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0a4i-0009000000-29ef335479f56b620d88	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0a4i-0009001000-d1f5986166efa523d024	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-056s-0495300000-dba7be381fd1ef776527	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-004i-0920000000-de5b8a5a377324599b39	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-053r-0007920000-7500cef211e48c8ea244	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-0a4i-0119003000-4eb7ed4e2a4cf6a83c66	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-0uki-0290000000-6893386899c6eed6a1a6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-05g0-0190000000-cacc2de4ab18ed59798b	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-0a4i-0009000000-6b4268add43ab66ef015	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-08fr-0015009000-a01bdc13a34d6ce8416f	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-0uki-0290000000-ea94ec8247b4e025adbe	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-0a4i-0039210000-e1f721157a9ea89959d6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF	splash10-0a59-0039210000-35ce450ea95922abf0e1	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF	splash10-0a4i-0009000000-9b01fba547d1fcde113a	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF	splash10-0006-0952000000-4a2a42699cf4aab2c559	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF	splash10-002f-2900000000-bd9ba27b48b1322b7618	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF	splash10-004m-5900000000-cc7184d5bba50e6e49d0	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathione LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF	splash10-0a4i-9200000000-aecd0eb18a10c3ffb7ab	2012-08-31	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathione 10V, Positive-QTOF	splash10-0729-4492000000-78a928563adf9038ba59	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Experimental 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria
Endoplasmic reticulum

Biospecimen Locations

Blood
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Saliva
Urine

Tissue Locations

All Tissues
Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Glutamate Metabolism
Glutathione metabolism	Not Available
Pyruvaldehyde Degradation		Not Available
Arachidonic Acid Metabolism
Glutathione Synthetase Deficiency		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	4.35 +/- 2.10 uM	Adolescent (13-18 years old)	Male	Normal	10577998	details
Blood	Detected and Quantified	3.20 +/- 2.20 uM	Adolescent (13-18 years old)	Male	Normal	10577998	details
Blood	Detected and Quantified	1.0738-1.725 uM	Adult (>18 years old)	Not Specified	Normal	238530	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	800.50 +/- 201.73 uM	Adult (>18 years old)	Both	Normal	23823132	details
Blood	Detected and Quantified	3.67 +/- 0.241 uM	Adult (>18 years old)	Both	Normal	25004141	details
Blood	Detected and Quantified	12.5 +/- 5.2 uM	Infant (0-1 year old)	Male	Normal	9554495	details
Blood	Detected and Quantified	10.9 +/- 4.5 uM	Children (1-13 years old)	Male	Normal	9554495	details
Blood	Detected and Quantified	12.00 +/- 3.00 uM	Adolescent (13-18 years old)	Male	Normal	9554495	details
Blood	Detected and Quantified	12.8 +/- 4.6 uM	Adult (>18 years old)	Male	Normal	9554495	details
Blood	Detected and Quantified	37.03 +/- 4.76 uM	Adult (>18 years old)	Both	Normal	16139832	details
Cellular Cytoplasm	Detected and Quantified	3210 (1710-4710) uM	Adult (>18 years old)	Both	Normal	15882454	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	1.2 +/- 0.16 uM	Adult (>18 years old)	Not Specified	Normal	11978879	details
Saliva	Detected and Quantified	1.35 +/- 0.40 uM	Adult (>18 years old)	Both	Normal	14637266	details
Saliva	Detected and Quantified	7.47 +/- 6.00 uM	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details
Urine	Detected and Quantified	0.00976-0.0325 umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	238530	details
Urine	Detected and Quantified	0.030 (0.005-0.085) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	24023812	details
Urine	Detected and Quantified	0.065 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	15702405	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	4.555-7.809 uM	Adult (>18 years old)	Male	Glutathionuria	238530	details
Blood	Detected and Quantified	516.50 +/- 238.40 uM	Adult (>18 years old)	Both	Schizophrenia	23823132	details
Blood	Detected and Quantified	3.03 +/- 0.149 uM	Adult (>18 years old)	Both	Schizophrenia	25004141	details
Blood	Detected and Quantified	30.22 +/- 2.55 uM	Children (1-13 years old)	Not Specified	Canavan disease	16139832	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.19 +/- 0.05 uM	Children (1-13 years old)	Not Specified	Brain injury	11978879	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	4.56 +/- 0.7 uM	Adult (>18 years old)	Not Specified	Multiple sclerosis	12938853	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	2.58 +/- 1.2 uM	Adult (>18 years old)	Not Specified	Multiple sclerosis	12938853	details
Urine	Detected and Quantified	27.984-40.674 umol/mmol creatinine	Adult (>18 years old)	Male	Glutathionuria	238530	details

Associated Disorders and Diseases

Disease References

Canavan disease
Tavazzi B, Lazzarino G, Leone P, Amorini AM, Bellia F, Janson CG, Di Pietro V, Ceccarelli L, Donzelli S, Francis JS, Giardina B: Simultaneous high performance liquid chromatographic separation of purines, pyrimidines, N-acetylated amino acids, and dicarboxylic acids for the chemical diagnosis of inborn errors of metabolism. Clin Biochem. 2005 Nov;38(11):997-1008. Epub 2005 Sep 1. [PubMed:16139832 ]
Schizophrenia
Ballesteros A, Summerfelt A, Du X, Jiang P, Chiappelli J, Tagamets M, O'Donnell P, Kochunov P, Hong LE: Electrophysiological intermediate biomarkers for oxidative stress in schizophrenia. Clin Neurophysiol. 2013 Nov;124(11):2209-15. doi: 10.1016/j.clinph.2013.05.021. Epub 2013 Jun 30. [PubMed:23823132 ] Fukushima T, Iizuka H, Yokota A, Suzuki T, Ohno C, Kono Y, Nishikiori M, Seki A, Ichiba H, Watanabe Y, Hongo S, Utsunomiya M, Nakatani M, Sadamoto K, Yoshio T: Quantitative analyses of schizophrenia-associated metabolites in serum: serum D-lactate levels are negatively correlated with gamma-glutamylcysteine in medicated schizophrenia patients. PLoS One. 2014 Jul 8;9(7):e101652. doi: 10.1371/journal.pone.0101652. eCollection 2014. [PubMed:25004141 ]
Gamma-glutamyl transpeptidase deficiency
Schulman JD, Goodman SI, Mace JW, Patrick AD, Tietze F, Butler EJ: Glutathionuria: inborn error of metabolism due to tissue deficiency of gamma-glutamyl transpeptidase. Biochem Biophys Res Commun. 1975 Jul 8;65(1):68-74. [PubMed:238530 ]
Traumatic brain injury
Bayir H, Kagan VE, Tyurina YY, Tyurin V, Ruppel RA, Adelson PD, Graham SH, Janesko K, Clark RS, Kochanek PM: Assessment of antioxidant reserves and oxidative stress in cerebrospinal fluid after severe traumatic brain injury in infants and children. Pediatr Res. 2002 May;51(5):571-8. [PubMed:11978879 ]
Multiple sclerosis
Calabrese V, Scapagnini G, Ravagna A, Bella R, Butterfield DA, Calvani M, Pennisi G, Giuffrida Stella AM: Disruption of thiol homeostasis and nitrosative stress in the cerebrospinal fluid of patients with active multiple sclerosis: evidence for a protective role of acetylcarnitine. Neurochem Res. 2003 Sep;28(9):1321-8. [PubMed:12938853 ]

Associated OMIM IDs

271900 (Canavan disease)
181500 (Schizophrenia)
231950 (Gamma-glutamyl transpeptidase deficiency)
126200 (Multiple sclerosis)

External Links

DrugBank ID

DB00143

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

124886

PDB ID

Not Available

ChEBI ID

16856

Food Biomarker Ontology

Not Available

VMH ID

GTHRD

MarkerDB ID

MDB00000060

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Bayir H, Kagan VE, Tyurina YY, Tyurin V, Ruppel RA, Adelson PD, Graham SH, Janesko K, Clark RS, Kochanek PM: Assessment of antioxidant reserves and oxidative stress in cerebrospinal fluid after severe traumatic brain injury in infants and children. Pediatr Res. 2002 May;51(5):571-8. [PubMed:11978879 ]
Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
Djurhuus R, Segadal K, Svardal AM: Glutathione in blood cells decreases without DNA breaks after a simulated saturation dive to 250 msw. Aviat Space Environ Med. 2006 Jun;77(6):597-604. [PubMed:16780237 ]
Hung CR: Effect of lysozyme chloride on betel quid chewing aggravated gastric oxidative stress and hemorrhagic ulcer in diabetic rats. World J Gastroenterol. 2005 Oct 7;11(37):5853-8. [PubMed:16270397 ]
Grattagliano I, Portincasa P, Palmieri VO, Palasciano G: Contribution of canalicular glutathione efflux to bile formation. From cholestasis associated alterations to pharmacological intervention to modify bile flow. Curr Drug Targets Immune Endocr Metabol Disord. 2005 Jun;5(2):153-61. [PubMed:16089347 ]
Calvo-Marzal P, Chumbimuni-Torres KY, Hoehr NF, Kubota LT: Determination of glutathione in hemolysed erythrocyte with amperometric sensor based on TTF-TCNQ. Clin Chim Acta. 2006 Sep;371(1-2):152-8. Epub 2006 May 2. [PubMed:16650398 ]
Calabrese V, Scapagnini G, Ravagna A, Bella R, Butterfield DA, Calvani M, Pennisi G, Giuffrida Stella AM: Disruption of thiol homeostasis and nitrosative stress in the cerebrospinal fluid of patients with active multiple sclerosis: evidence for a protective role of acetylcarnitine. Neurochem Res. 2003 Sep;28(9):1321-8. [PubMed:12938853 ]
Sohlenius-Sternbeck AK, Schmidt S: Impaired glutathione-conjugating capacity by cryopreserved human and rat hepatocytes. Xenobiotica. 2005 Jul;35(7):727-36. [PubMed:16316931 ]
Iida M, Yasuhara T, Mochizuki H, Takakura H, Yanagisawa T, Kubo H: Two Japanese brothers with hereditary gamma-glutamyl transpeptidase deficiency. J Inherit Metab Dis. 2005;28(1):49-55. [PubMed:15702405 ]
Briz O, Romero MR, Martinez-Becerra P, Macias RI, Perez MJ, Jimenez F, San Martin FG, Marin JJ: OATP8/1B3-mediated cotransport of bile acids and glutathione: an export pathway for organic anions from hepatocytes? J Biol Chem. 2006 Oct 13;281(41):30326-35. Epub 2006 Jul 28. [PubMed:16877380 ]
Czeczot H, Scibior D, Skrzycki M, Podsiad M: [Antioxidant barrier in patients with gastric cancer--preliminary study]. Pol Merkur Lekarski. 2005 Oct;19(112):521-5. [PubMed:16379316 ]
Czeczot H, Scibior D, Skrzycki M, Podsiad M: Glutathione and GSH-dependent enzymes in patients with liver cirrhosis and hepatocellular carcinoma. Acta Biochim Pol. 2006;53(1):237-42. Epub 2006 Jan 9. [PubMed:16404476 ]
Kawakami Y, Monobe M, Kuwabara K, Fujita T, Maeda M, Fujino O, Kojima S, Fukunaga Y: A comparative study of nitric oxide, glutathione, and glutathione peroxidase activities in cerebrospinal fluid from children with convulsive diseases/children with aseptic meningitis. Brain Dev. 2006 May;28(4):243-6. Epub 2006 Jan 10. [PubMed:16376049 ]
Kaynar H, Meral M, Turhan H, Keles M, Celik G, Akcay F: Glutathione peroxidase, glutathione-S-transferase, catalase, xanthine oxidase, Cu-Zn superoxide dismutase activities, total glutathione, nitric oxide, and malondialdehyde levels in erythrocytes of patients with small cell and non-small cell lung cancer. Cancer Lett. 2005 Sep 28;227(2):133-9. Epub 2005 Jan 8. [PubMed:16112416 ]
Tsai CC, Chen HS, Chen SL, Ho YP, Ho KY, Wu YM, Hung CC: Lipid peroxidation: a possible role in the induction and progression of chronic periodontitis. J Periodontal Res. 2005 Oct;40(5):378-84. [PubMed:16105090 ]
Wielandt AM, Vollrath V, Farias M, Chianale J: Bucillamine induces glutathione biosynthesis via activation of the transcription factor Nrf2. Biochem Pharmacol. 2006 Aug 14;72(4):455-62. Epub 2006 Jun 27. [PubMed:16806086 ]
Oztezcan S, Balkan J, Dogru-Abbasoglu S, Cevikbas U, Aykac-Toker G, Uysal M: Resistance of erythrocytes to lipid peroxidation in cirrhotic rats. Arch Med Res. 2005 Sep-Oct;36(5):459-63. [PubMed:16099321 ]
Schulpis KH, Papassotiriou I, Parthimos T, Tsakiris T, Tsakiris S: The effect of L-cysteine and glutathione on inhibition of Na+, K+-ATPase activity by aspartame metabolites in human erythrocyte membrane. Eur J Clin Nutr. 2006 May;60(5):593-7. [PubMed:16391576 ]
Zamek-Gliszczynski MJ, Hoffmaster KA, Nezasa K, Tallman MN, Brouwer KL: Integration of hepatic drug transporters and phase II metabolizing enzymes: mechanisms of hepatic excretion of sulfate, glucuronide, and glutathione metabolites. Eur J Pharm Sci. 2006 Apr;27(5):447-86. Epub 2006 Feb 10. [PubMed:16472997 ]
Iwasaki Y, Hoshi M, Ito R, Saito K, Nakazawa H: Analysis of glutathione and glutathione disulfide in human saliva using hydrophilic interaction chromatography with mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2006 Jul 24;839(1-2):74-9. Epub 2006 Apr 18. [PubMed:16621738 ]
Witschi A, Reddy S, Stofer B, Lauterburg BH: The systemic availability of oral glutathione. Eur J Clin Pharmacol. 1992;43(6):667-9. [PubMed:1362956 ]
Yim CY, Hibbs JB Jr, McGregor JR, Galinsky RE, Samlowski WE: Use of N-acetyl cysteine to increase intracellular glutathione during the induction of antitumor responses by IL-2. J Immunol. 1994 Jun 15;152(12):5796-805. [PubMed:8207209 ]
Wu G, Fang YZ, Yang S, Lupton JR, Turner ND: Glutathione metabolism and its implications for health. J Nutr. 2004 Mar;134(3):489-92. [PubMed:14988435 ]
Struzynska L, Chalimoniuk M, Sulkowski G: The role of astroglia in Pb-exposed adult rat brain with respect to glutamate toxicity. Toxicology. 2005 Sep 1;212(2-3):185-94. [PubMed:15955607 ]
Drevet JR: The antioxidant glutathione peroxidase family and spermatozoa: a complex story. Mol Cell Endocrinol. 2006 May 16;250(1-2):70-9. Epub 2006 Jan 19. [PubMed:16427183 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 57 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Prostaglandin E synthase

General function:: Involved in prostaglandin-E synthase activity
Specific function:: Catalyzes the oxidoreduction of prostaglandin endoperoxide H2 (PGH2) to prostaglandin E2 (PGE2).
Gene Name:: PTGES
Uniprot ID:: O14684
Molecular weight:: 17102.135

Enzyme Details

2. Glutathione reductase, mitochondrial

General function:: Involved in oxidoreductase activity
Specific function:: Maintains high levels of reduced glutathione in the cytosol.
Gene Name:: GSR
Uniprot ID:: P00390
Molecular weight:: 56256.565

Reactions

Glutathione + NADP → Oxidized glutathione + NADPH	details
Glutathione + NAD → Oxidized glutathione + NADH + Hydrogen Ion	details
Glutathione + NADP → Oxidized glutathione + NADPH + Hydrogen Ion	details

References

Messarah M, Boulakoud MS, Boumendjel A, Abdennour C, El Feki A: The impact of thyroid activity variations on some oxidizing-stress parameters in rats. C R Biol. 2007 Feb;330(2):107-12. Epub 2006 Dec 12. [PubMed:17303537 ]
Brocardo PS, Assini F, Franco JL, Pandolfo P, Muller YM, Takahashi RN, Dafre AL, Rodrigues AL: Zinc attenuates malathion-induced depressant-like behavior and confers neuroprotection in the rat brain. Toxicol Sci. 2007 May;97(1):140-8. Epub 2007 Feb 27. [PubMed:17327255 ]
Guruvayoorappan C, Afira AH, Kuttan G: Antioxidant potential of Biophytum sensitivum extract in vitro and in vivo. J Basic Clin Physiol Pharmacol. 2006;17(4):255-67. [PubMed:17338281 ]
Markaryan AA, Dubinskaya VA, Dargaeva TD: Peroxide-eliminating oxidoreductases as biosensors of antioxidant components of medicinal plants. Bull Exp Biol Med. 2006 Jul;142(1):55-6. [PubMed:17369902 ]
Maity S, Roy S, Chaudhury S, Bhattacharya S: Antioxidant responses of the earthworm Lampito mauritii exposed to Pb and Zn contaminated soil. Environ Pollut. 2008 Jan;151(1):1-7. Epub 2007 May 23. [PubMed:17512104 ]

Enzyme Details

3. Peroxiredoxin-6

General function:: Involved in antioxidant activity
Specific function:: Involved in redox regulation of the cell. Can reduce H(2)O(2) and short chain organic, fatty acid, and phospholipid hydroperoxides. May play a role in the regulation of phospholipid turnover as well as in protection against oxidative injury.
Gene Name:: PRDX6
Uniprot ID:: P30041
Molecular weight:: 25034.715

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details

Enzyme Details

4. Lactoylglutathione lyase

General function:: Involved in lactoylglutathione lyase activity
Specific function:: Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B.
Gene Name:: GLO1
Uniprot ID:: Q04760
Molecular weight:: 20777.515

Reactions

S-Lactoylglutathione → Glutathione + Pyruvaldehyde	details

References

Barati MT, Merchant ML, Kain AB, Jevans AW, McLeish KR, Klein JB: Proteomic analysis defines altered cellular redox pathways and advanced glycation end-product metabolism in glomeruli of db/db diabetic mice. Am J Physiol Renal Physiol. 2007 Oct;293(4):F1157-65. Epub 2007 Jul 3. [PubMed:17609286 ]
Deponte M, Sturm N, Mittler S, Harner M, Mack H, Becker K: Allosteric coupling of two different functional active sites in monomeric Plasmodium falciparum glyoxalase I. J Biol Chem. 2007 Sep 28;282(39):28419-30. Epub 2007 Jul 30. [PubMed:17664277 ]

Enzyme Details

5. S-formylglutathione hydrolase

General function:: Involved in carboxylesterase activity
Specific function:: Serine hydrolase involved in the detoxification of formaldehyde.
Gene Name:: ESD
Uniprot ID:: P10768
Molecular weight:: 31462.545

Reactions

S-Formylglutathione + Water → Glutathione + Formic acid	details

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Yurimoto H, Lee B, Yano T, Sakai Y, Kato N: Physiological role of S-formylglutathione hydrolase in C(1) metabolism of the methylotrophic yeast Candida boidinii. Microbiology. 2003 Aug;149(Pt 8):1971-9. [PubMed:12904537 ]
Neben I, Sahm H, Kula MR: Studies on an enzyme, S-formylglutathione hydrolase, of the dissimilatory pathway of methanol in Candida boidinii. Biochim Biophys Acta. 1980 Jul 10;614(1):81-91. [PubMed:7397203 ]
Sabatier L, Hoffschir F, al Achkar WA, Turleau C, de Grouchy J, Dutrillaux B: The decrease of catalase or esterase D activity in patients with microdeletions of 11p or 13q does not increase their radiosensitivity. Ann Genet. 1989;32(3):144-8. [PubMed:2554783 ]

Enzyme Details

6. Gamma-glutamyltranspeptidase 1

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Initiates extracellular glutathione (GSH) breakdown, provides cells with a local cysteine supply and contributes to maintain intracellular GSH level. It is part of the cell antioxidant defense mechanism. Catalyzes the transfer of the glutamyl moiety of glutathione to amino acids and dipeptide acceptors. Alternatively, glutathione can be hydrolyzed to give Cys-Gly and gamma glutamate. Isoform 3 seems to be inactive.
Gene Name:: GGT1
Uniprot ID:: P19440
Molecular weight:: 61409.67

Reactions

Glutathione + Water → Cysteinylglycine + L-Glutamic acid	details
Glutathione + L-Amino acid → Cysteinylglycine + (5-L-Glutamyl)-L-amino acid	details

References

Ohkama-Ohtsu N, Zhao P, Xiang C, Oliver DJ: Glutathione conjugates in the vacuole are degraded by gamma-glutamyl transpeptidase GGT3 in Arabidopsis. Plant J. 2007 Mar;49(5):878-88. [PubMed:17316176 ]
Martin MN, Saladores PH, Lambert E, Hudson AO, Leustek T: Localization of members of the gamma-glutamyl transpeptidase family identifies sites of glutathione and glutathione S-conjugate hydrolysis. Plant Physiol. 2007 Aug;144(4):1715-32. Epub 2007 Jun 1. [PubMed:17545509 ]
Anilakumar KR, Nagaraj NS, Santhanam K: Reduction of hexachlorocyclohexane-induced oxidative stress and cytotoxicity in rat liver by Emblica officinalis gaertn. Indian J Exp Biol. 2007 May;45(5):450-4. [PubMed:17569287 ]
Adamis PD, Panek AD, Eleutherio EC: Vacuolar compartmentation of the cadmium-glutathione complex protects Saccharomyces cerevisiae from mutagenesis. Toxicol Lett. 2007 Aug 30;173(1):1-7. Epub 2007 Jun 14. [PubMed:17644279 ]
Zhu Y, Carvey PM, Ling Z: Altered glutathione homeostasis in animals prenatally exposed to lipopolysaccharide. Neurochem Int. 2007 Mar;50(4):671-80. Epub 2007 Jan 13. [PubMed:17291629 ]

Enzyme Details

7. Gamma-glutamyltransferase 7

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Cleaves glutathione conjugates (By similarity).
Gene Name:: GGT7
Uniprot ID:: Q9UJ14
Molecular weight:: 70466.015

Reactions

Glutathione + Water → Cysteinylglycine + L-Glutamic acid	details
Glutathione + L-Amino acid → Cysteinylglycine + (5-L-Glutamyl)-L-amino acid	details

Enzyme Details

8. Glutathione synthetase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GSS
Uniprot ID:: P48637
Molecular weight:: 52384.325

Reactions

Adenosine triphosphate + gamma-Glutamylcysteine + Glycine → ADP + Phosphate + Glutathione	details

References

Herrera K, Cahoon RE, Kumaran S, Jez J: Reaction mechanism of glutathione synthetase from Arabidopsis thaliana: site-directed mutagenesis of active site residues. J Biol Chem. 2007 Jun 8;282(23):17157-65. Epub 2007 Apr 22. [PubMed:17452339 ]
Mohanpuria P, Rana NK, Yadav SK: Cadmium induced oxidative stress influence on glutathione metabolic genes of Camellia sinensis (L.) O. Kuntze. Environ Toxicol. 2007 Aug;22(4):368-74. [PubMed:17607728 ]
Forcella M, Berra E, Giacchini R, Parenti P: Antioxidant defenses preserve membrane transport activity in Chironomus riparius larvae exposed to anoxia. Arch Insect Biochem Physiol. 2007 Aug;65(4):181-94. [PubMed:17630655 ]
Janaky R, Dohovics R, Saransaari P, Oja SS: Modulation of [3H]dopamine release by glutathione in mouse striatal slices. Neurochem Res. 2007 Aug;32(8):1357-64. Epub 2007 Mar 31. [PubMed:17401648 ]
Bridges CC, Battle JR, Zalups RK: Transport of thiol-conjugates of inorganic mercury in human retinal pigment epithelial cells. Toxicol Appl Pharmacol. 2007 Jun 1;221(2):251-60. Epub 2007 Mar 23. [PubMed:17467761 ]

Enzyme Details

9. Leukotriene C4 synthase

General function:: Involved in enzyme activator activity
Specific function:: Catalyzes the conjugation of leukotriene A4 with reduced glutathione to form leukotriene C4.
Gene Name:: LTC4S
Uniprot ID:: Q16873
Molecular weight:: 16566.465

Reactions

Leukotriene C(4) → leukotriene A(4) + Glutathione	details
Leukotriene A4 + Glutathione → Leukotriene C4	details

References

Martinez Molina D, Wetterholm A, Kohl A, McCarthy AA, Niegowski D, Ohlson E, Hammarberg T, Eshaghi S, Haeggstrom JZ, Nordlund P: Structural basis for synthesis of inflammatory mediators by human leukotriene C4 synthase. Nature. 2007 Aug 2;448(7153):613-6. Epub 2007 Jul 15. [PubMed:17632546 ]
Ago H, Kanaoka Y, Irikura D, Lam BK, Shimamura T, Austen KF, Miyano M: Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis. Nature. 2007 Aug 2;448(7153):609-12. Epub 2007 Jul 15. [PubMed:17632548 ]

Enzyme Details

10. Glutathione S-transferase Mu 2

General function:: Involved in glutathione transferase activity
Specific function:: Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:: GSTM2
Uniprot ID:: P28161
Molecular weight:: 25744.395

Reactions

RX + Glutathione → HX + R-S-glutathione	details
RX + Glutathione → Halide + R-S-Glutathione	details
Naphthalene epoxide + Glutathione → (1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	details
(1S,2R)-Naphthalene 1,2-oxide + Glutathione → (1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene	details
(1S,2R)-Naphthalene 1,2-oxide + Glutathione → (1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene	details
1-Nitronaphthalene-7,8-oxide + Glutathione → 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene	details
1-Nitronaphthalene-7,8-oxide + Glutathione → 1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene	details
1-Nitronaphthalene-5,6-oxide + Glutathione → 1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene	details
1-Nitronaphthalene-5,6-oxide + Glutathione → 1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene	details
Bromobenzene-3,4-oxide + Glutathione → 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene	details
Bromobenzene-2,3-oxide + Glutathione → 2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene	details
Benzo[a]pyrene-4,5-oxide + Glutathione → 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene	details
Benzo[a]pyrene-7,8-diol + Glutathione → 7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene + Water	details
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathione	details
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric acid	details
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric acid	details
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric acid	details
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric acid	details
1,2-Dibromoethane + Glutathione + Hydrogen Ion → Glutathione episulfonium ion + Bromide	details
2-Bromoacetaldehyde + Glutathione → S-(Formylmethyl)glutathione + Bromide	details
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Water	details
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSH	details

References

Kurtovic S, Jansson R, Mannervik B: Colorimetric endpoint assay for enzyme-catalyzed iodide ion release for high-throughput screening in microtiter plates. Arch Biochem Biophys. 2007 Aug 15;464(2):284-7. Epub 2007 Apr 24. [PubMed:17490601 ]
Vararattanavech A, Ketterman AJ: A functionally conserved basic residue in glutathione transferases interacts with the glycine moiety of glutathione and is pivotal for enzyme catalysis. Biochem J. 2007 Sep 1;406(2):247-56. [PubMed:17523921 ]
Gallagher EP, Huisden CM, Gardner JL: Transfection of HepG2 cells with hGSTA4 provides protection against 4-hydroxynonenal-mediated oxidative injury. Toxicol In Vitro. 2007 Dec;21(8):1365-72. Epub 2007 Apr 27. [PubMed:17553661 ]
Yalcinkaya S, Unlucerci Y, Uysal M: Methionine-supplemented diet augments hepatotoxicity and prooxidant status in chronically ethanol-treated rats. Exp Toxicol Pathol. 2007 Aug;58(6):455-9. Epub 2007 May 11. [PubMed:17498936 ]
Roh JY, Jung IH, Lee JY, Choi J: Toxic effects of di(2-ethylhexyl)phthalate on mortality, growth, reproduction and stress-related gene expression in the soil nematode Caenorhabditis elegans. Toxicology. 2007 Jul 31;237(1-3):126-33. Epub 2007 May 18. [PubMed:17604895 ]

Transporters

Enzyme Details

1. Canalicular multispecific organic anion transporter 1

General function:: Involved in ATP binding
Specific function:: Mediates hepatobiliary excretion of numerous organic anions. May function as a cellular cisplatin transporter
Gene Name:: ABCC2
Uniprot ID:: Q92887
Molecular weight:: 174205.6

References

Paulusma CC, van Geer MA, Evers R, Heijn M, Ottenhoff R, Borst P, Oude Elferink RP: Canalicular multispecific organic anion transporter/multidrug resistance protein 2 mediates low-affinity transport of reduced glutathione. Biochem J. 1999 Mar 1;338 ( Pt 2):393-401. [PubMed:10024515 ]
Hagmann W, Nies AT, Konig J, Frey M, Zentgraf H, Keppler D: Purification of the human apical conjugate export pump MRP2 reconstitution and functional characterization as substrate-stimulated ATPase. Eur J Biochem. 1999 Oct 1;265(1):281-9. [PubMed:10491184 ]
Nishida T, Gatmaitan Z, Roy-Chowdhry J, Arias IM: Two distinct mechanisms for bilirubin glucuronide transport by rat bile canalicular membrane vesicles. Demonstration of defective ATP-dependent transport in rats (TR-) with inherited conjugated hyperbilirubinemia. J Clin Invest. 1992 Nov;90(5):2130-5. [PubMed:1430236 ]
Stieger B, Fattinger K, Madon J, Kullak-Ublick GA, Meier PJ: Drug- and estrogen-induced cholestasis through inhibition of the hepatocellular bile salt export pump (Bsep) of rat liver. Gastroenterology. 2000 Feb;118(2):422-30. [PubMed:10648470 ]
Madon J, Hagenbuch B, Landmann L, Meier PJ, Stieger B: Transport function and hepatocellular localization of mrp6 in rat liver. Mol Pharmacol. 2000 Mar;57(3):634-41. [PubMed:10692506 ]

Enzyme Details

2. Multidrug resistance-associated protein 1

General function:: Involved in ATP binding
Specific function:: Mediates export of organic anions and drugs from the cytoplasm. Mediates ATP-dependent transport of glutathione and glutathione conjugates, leukotriene C4, estradiol-17-beta-o- glucuronide, methotrexate, antiviral drugs and other xenobiotics. Confers resistance to anticancer drugs. Hydrolyzes ATP with low efficiency
Gene Name:: ABCC1
Uniprot ID:: P33527
Molecular weight:: 171589.5

References

Heijn M, Hooijberg JH, Scheffer GL, Szabo G, Westerhoff HV, Lankelma J: Anthracyclines modulate multidrug resistance protein (MRP) mediated organic anion transport. Biochim Biophys Acta. 1997 May 22;1326(1):12-22. [PubMed:9188796 ]
Evers R, de Haas M, Sparidans R, Beijnen J, Wielinga PR, Lankelma J, Borst P: Vinblastine and sulfinpyrazone export by the multidrug resistance protein MRP2 is associated with glutathione export. Br J Cancer. 2000 Aug;83(3):375-83. [PubMed:10917554 ]
Jedlitschky G, Leier I, Buchholz U, Barnouin K, Kurz G, Keppler D: Transport of glutathione, glucuronate, and sulfate conjugates by the MRP gene-encoded conjugate export pump. Cancer Res. 1996 Mar 1;56(5):988-94. [PubMed:8640791 ]
Minich T, Riemer J, Schulz JB, Wielinga P, Wijnholds J, Dringen R: The multidrug resistance protein 1 (Mrp1), but not Mrp5, mediates export of glutathione and glutathione disulfide from brain astrocytes. J Neurochem. 2006 Apr;97(2):373-84. Epub 2006 Mar 15. [PubMed:16539673 ]

Enzyme Details

3. Canalicular multispecific organic anion transporter 2

General function:: Involved in ATP binding
Specific function:: May act as an inducible transporter in the biliary and intestinal excretion of organic anions. Acts as an alternative route for the export of bile acids and glucuronides from cholestatic hepatocytes
Gene Name:: ABCC3
Uniprot ID:: O15438
Molecular weight:: 169341.1

References

Zelcer N, Saeki T, Reid G, Beijnen JH, Borst P: Characterization of drug transport by the human multidrug resistance protein 3 (ABCC3). J Biol Chem. 2001 Dec 7;276(49):46400-7. [PubMed:11581266 ]

Enzyme Details

4. Multidrug resistance-associated protein 4

General function:: Involved in ATP binding
Specific function:: May be an organic anion pump relevant to cellular detoxification
Gene Name:: ABCC4
Uniprot ID:: O15439
Molecular weight:: 149525.3

References

Lai L, Tan TM: Role of glutathione in the multidrug resistance protein 4 (MRP4/ABCC4)-mediated efflux of cAMP and resistance to purine analogues. Biochem J. 2002 Feb 1;361(Pt 3):497-503. [PubMed:11802779 ]

Enzyme Details

5. Multidrug resistance-associated protein 5

General function:: Involved in ATP binding
Specific function:: Acts as a multispecific organic anion pump which can transport nucleotide analogs
Gene Name:: ABCC5
Uniprot ID:: O15440
Molecular weight:: 160658.8

References

Minich T, Riemer J, Schulz JB, Wielinga P, Wijnholds J, Dringen R: The multidrug resistance protein 1 (Mrp1), but not Mrp5, mediates export of glutathione and glutathione disulfide from brain astrocytes. J Neurochem. 2006 Apr;97(2):373-84. Epub 2006 Mar 15. [PubMed:16539673 ]

Only showing the first 10 proteins. There are 57 proteins in total.

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Showing metabocard for Glutathione (HMDB0000125)

MOL for HMDB0000125 (Glutathione)

3D MOL for HMDB0000125 (Glutathione)

3D SDF for HMDB0000125 (Glutathione)

3D-SDF for HMDB0000125 (Glutathione)

PDB for HMDB0000125 (Glutathione)

3D PDB for HMDB0000125 (Glutathione)

SMILES for HMDB0000125 (Glutathione)

INCHI for HMDB0000125 (Glutathione)

Structure for HMDB0000125 (Glutathione)

3D Structure for HMDB0000125 (Glutathione)

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