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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 05:39:50 UTC

Update Date

2022-03-07 03:17:58 UTC

HMDB ID

HMDB0062697

Secondary Accession Numbers

HMDB62697

Metabolite Identification

Common Name

Glutathionate(1-)

Description

gamma-Glutamylcysteinylglycine belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a significant number of articles have been published on gamma-Glutamylcysteinylglycine.

Structure

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

HMDB0062697
     RDKit          3D
Glutathionate(1-)
 37 36  0  0  0  0  0  0  0  0999 V2000
    3.0069    1.1150    1.8817 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154    1.0103    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    1.9818   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    1.7421    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411    0.4204   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117   -0.0229   -1.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.3957    0.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -1.7124    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716   -2.2980    1.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -3.9632    1.5086 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111   -1.5958   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283   -2.6957   -0.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -0.4286   -0.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -0.1882   -1.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599    1.1452   -1.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    1.5114   -1.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4489    1.9390   -0.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.3598    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    1.6913    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    1.3248   -1.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    1.8042    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    1.1520    2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -0.0083    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802    1.9355   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    2.9951    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531    2.4887   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    1.9904    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866   -0.3080   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -2.3719   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -1.6186    2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338   -2.3276    2.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -4.6093    2.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975   -3.6258   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -0.1798   -2.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2404   -0.9981   -1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442    1.7515    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    0.5370   -1.8829 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  1  0
  5  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  3
 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  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  6 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 12 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END


  Mrv1652305161801132D          

 20 19  0  0  0  0            999 V2000
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -0.5230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638    3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20  5  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062697

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(O)=NC(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)

> <INCHI_KEY>
RWSXRVCMGQZWBV-UHFFFAOYSA-N

> <FORMULA>
C10H17N3O6S

> <MOLECULAR_WEIGHT>
307.32

> <EXACT_MASS>
307.083806453

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
28.576677166261568

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoic acid

> <ALOGPS_LOGP>
-2.27

> <JCHEM_LOGP>
-3.3418175161547246

> <ALOGPS_LOGS>
-3.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.404932456789687

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0125505562891273

> <JCHEM_PKA_STRONGEST_BASIC>
9.429191875177528

> <JCHEM_POLAR_SURFACE_AREA>
165.79999999999998

> <JCHEM_REFRACTIVITY>
70.15830000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.46e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-{[1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0062697
     RDKit          3D
Glutathionate(1-)
 37 36  0  0  0  0  0  0  0  0999 V2000
    3.0069    1.1150    1.8817 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154    1.0103    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    1.9818   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    1.7421    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411    0.4204   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117   -0.0229   -1.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.3957    0.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -1.7124    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716   -2.2980    1.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -3.9632    1.5086 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111   -1.5958   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283   -2.6957   -0.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -0.4286   -0.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -0.1882   -1.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599    1.1452   -1.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    1.5114   -1.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4489    1.9390   -0.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.3598    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    1.6913    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    1.3248   -1.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    1.8042    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    1.1520    2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -0.0083    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802    1.9355   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    2.9951    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531    2.4887   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    1.9904    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866   -0.3080   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -2.3719   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -1.6186    2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338   -2.3276    2.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -4.6093    2.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975   -3.6258   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -0.1798   -2.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2404   -0.9981   -1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442    1.7515    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    0.5370   -1.8829 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  1  0
  5  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  3
 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  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  6 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 12 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 16-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAY-18         0                                  
HETATM    1  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -1.691   2.104   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -3.025   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.025  -0.206   0.000  0.00  0.00           C+0
HETATM    9  S   UNK     0      -4.358  -0.976   0.000  0.00  0.00           S+0
HETATM   10  C   UNK     0      -4.358   2.104   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -5.692   1.334   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      -4.358   3.644   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -5.692   4.414   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.692   5.954   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -7.026   6.724   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.358   6.724   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.357  -0.206   0.000  0.00  0.00           O+0
CONECT    1    2    3   17                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    1   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    5                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0062697
HETATM    1  N1  UNL     1       3.007   1.115   1.882  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.115   1.010   0.459  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.183   1.982  -0.225  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.740   1.742   0.129  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.241   0.420  -0.232  1.00  0.00           C  
HETATM    6  O1  UNL     1       0.212  -0.023  -1.548  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.196  -0.396   0.668  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.702  -1.712   0.386  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.172  -2.298   1.725  1.00  0.00           C  
HETATM   10  S1  UNL     1      -1.835  -3.963   1.509  1.00  0.00           S  
HETATM   11  C7  UNL     1      -1.911  -1.596  -0.453  1.00  0.00           C  
HETATM   12  O2  UNL     1      -2.628  -2.696  -0.895  1.00  0.00           O  
HETATM   13  N3  UNL     1      -2.322  -0.429  -0.791  1.00  0.00           N  
HETATM   14  C8  UNL     1      -3.486  -0.188  -1.605  1.00  0.00           C  
HETATM   15  C9  UNL     1      -4.060   1.145  -1.310  1.00  0.00           C  
HETATM   16  O3  UNL     1      -5.081   1.511  -1.930  1.00  0.00           O  
HETATM   17  O4  UNL     1      -3.449   1.939  -0.361  1.00  0.00           O  
HETATM   18  C10 UNL     1       4.488   1.360   0.052  1.00  0.00           C  
HETATM   19  O5  UNL     1       5.333   1.691   0.907  1.00  0.00           O  
HETATM   20  O6  UNL     1       4.856   1.325  -1.276  1.00  0.00           O  
HETATM   21  H1  UNL     1       3.670   1.804   2.255  1.00  0.00           H  
HETATM   22  H2  UNL     1       2.052   1.152   2.248  1.00  0.00           H  
HETATM   23  H3  UNL     1       2.909  -0.008   0.074  1.00  0.00           H  
HETATM   24  H4  UNL     1       2.380   1.935  -1.296  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.452   2.995   0.138  1.00  0.00           H  
HETATM   26  H6  UNL     1       0.153   2.489  -0.483  1.00  0.00           H  
HETATM   27  H7  UNL     1       0.540   1.990   1.170  1.00  0.00           H  
HETATM   28  H8  UNL     1       1.087  -0.308  -1.973  1.00  0.00           H  
HETATM   29  H9  UNL     1       0.069  -2.372  -0.066  1.00  0.00           H  
HETATM   30  H10 UNL     1      -2.002  -1.619   2.065  1.00  0.00           H  
HETATM   31  H11 UNL     1      -0.334  -2.328   2.437  1.00  0.00           H  
HETATM   32  H12 UNL     1      -1.899  -4.609   2.756  1.00  0.00           H  
HETATM   33  H13 UNL     1      -2.298  -3.626  -0.973  1.00  0.00           H  
HETATM   34  H14 UNL     1      -3.148  -0.180  -2.667  1.00  0.00           H  
HETATM   35  H15 UNL     1      -4.240  -0.998  -1.518  1.00  0.00           H  
HETATM   36  H16 UNL     1      -3.544   1.751   0.629  1.00  0.00           H  
HETATM   37  H17 UNL     1       4.819   0.537  -1.883  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    7    7
CONECT    6   28
CONECT    7    8
CONECT    8    9   11   29
CONECT    9   10   30   31
CONECT   10   32
CONECT   11   12   13   13
CONECT   12   33
CONECT   13   14
CONECT   14   15   34   35
CONECT   15   16   16   17
CONECT   17   36
CONECT   18   19   19   20
CONECT   20   37
END

HMDB0062697
     RDKit          3D
Glutathionate(1-)
 37 36  0  0  0  0  0  0  0  0999 V2000
    3.0069    1.1150    1.8817 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154    1.0103    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    1.9818   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    1.7421    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411    0.4204   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117   -0.0229   -1.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.3957    0.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -1.7124    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716   -2.2980    1.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -3.9632    1.5086 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111   -1.5958   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283   -2.6957   -0.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -0.4286   -0.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -0.1882   -1.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599    1.1452   -1.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    1.5114   -1.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4489    1.9390   -0.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.3598    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    1.6913    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    1.3248   -1.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    1.8042    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    1.1520    2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -0.0083    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802    1.9355   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    2.9951    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531    2.4887   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    1.9904    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866   -0.3080   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -2.3719   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -1.6186    2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338   -2.3276    2.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -4.6093    2.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975   -3.6258   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -0.1798   -2.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2404   -0.9981   -1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442    1.7515    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    0.5370   -1.8829 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  1  0
  5  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  3
 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  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  6 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 12 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
g-Glutamylcysteinylglycine	Generator
Γ-glutamylcysteinylglycine	Generator
Glutathionic acid(1-)	Generator
Glutathionate	HMDB
Glutathionate anion	HMDB
Glutathionate ion	HMDB
Glutathione	HMDB
Glutathionic acid	HMDB
Glutathionic acid anion	HMDB
Glutathionic acid ion	HMDB

Chemical Formula

C₁₀H₁₇N₃O₆S

Average Molecular Weight

307.32

Monoisotopic Molecular Weight

307.083806453

IUPAC Name

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoic acid

Traditional Name

2-amino-4-{[1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(O)=NC(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)

InChI Key

RWSXRVCMGQZWBV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Gamma-glutamyl alpha peptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Dicarboxylic acid or derivatives
Fatty acid
Amino acid
Carboxamide group
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxylic acid
Alkylthiol
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Carbonyl group
Primary amine
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	10.7 g/l	ALOGPS
LogP	-3.34	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.3	ALOGPS
logP	-3.3	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	2.01	ChemAxon
pKa (Strongest Basic)	9.43	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.8 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	70.16 m³·mol⁻¹	ChemAxon
Polarizability	28.58 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
DeepCCS	[M+H]+	173.623	30932474
DeepCCS	[M-H]-	171.265	30932474
DeepCCS	[M-2H]-	204.151	30932474
DeepCCS	[M+Na]+	179.716	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
Glutathionate(1-)	NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O	3786.4	Standard polar	33892256
Glutathionate(1-)	NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O	2346.9	Standard non polar	33892256
Glutathionate(1-)	NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O	3102.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutathionate(1-),1TMS,isomer #1	C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS)C(O)=NCC(=O)O	2787.6	Semi standard non polar	33892256
Glutathionate(1-),1TMS,isomer #2	C[Si](C)(C)OC(=NCC(=O)O)C(CS)N=C(O)CCC(N)C(=O)O	2791.0	Semi standard non polar	33892256
Glutathionate(1-),1TMS,isomer #3	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(N)C(=O)O	2849.8	Semi standard non polar	33892256
Glutathionate(1-),1TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS)C(O)=NCC(=O)O	2821.3	Semi standard non polar	33892256
Glutathionate(1-),1TMS,isomer #5	C[Si](C)(C)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O	2953.1	Semi standard non polar	33892256
Glutathionate(1-),1TMS,isomer #6	C[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O	2921.8	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C	2692.0	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #10	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(N)C(=O)O[Si](C)(C)C	2742.0	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #11	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(O)CCC(N)C(=O)O	2885.5	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #12	C[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O	2865.9	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O	2859.7	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #14	C[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C	2853.7	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #15	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)C(=O)O	2977.9	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #16	C[Si](C)(C)N(C(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C	3049.4	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #2	C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C	2706.8	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #3	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(N)C(=O)O)O[Si](C)(C)C	2706.6	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #4	C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O	2836.2	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #5	C[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O	2786.1	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(O)CCC(N)C(=O)O	2700.7	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C	2703.8	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #8	C[Si](C)(C)OC(=NCC(=O)O)C(CS[Si](C)(C)C)N=C(O)CCC(N)C(=O)O	2854.3	Semi standard non polar	33892256
Glutathionate(1-),2TMS,isomer #9	C[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O	2827.8	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2666.9	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #10	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O	2883.3	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #11	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CS)C(O)=NCC(=O)O	2932.3	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #12	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(O)CCC(N)C(=O)O[Si](C)(C)C	2640.8	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #13	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(N)C(=O)O	2800.6	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #14	C[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2730.2	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C	2806.7	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #16	C[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.9	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #17	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O	2915.0	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #18	C[Si](C)(C)OC(=NCC(=O)O)C(CS)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2963.9	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #19	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(O)CCC(N)C(=O)O[Si](C)(C)C	2819.1	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #2	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2664.9	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #20	C[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2764.1	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #21	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O	2926.0	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #22	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2981.5	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #23	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C	2891.6	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #24	C[Si](C)(C)OC(=O)C(CCC(O)=NC(CS)C(O)=NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2983.9	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #25	C[Si](C)(C)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O	3098.4	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C	2800.8	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #4	C[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2710.9	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #5	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(N)C(=O)O)O[Si](C)(C)C	2645.6	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #6	C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C	2796.3	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #7	C[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2744.2	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #8	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(N)C(=O)O)O[Si](C)(C)C	2805.3	Semi standard non polar	33892256
Glutathionate(1-),3TMS,isomer #9	C[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2729.0	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2610.6	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #10	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2826.5	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #11	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C	2923.4	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #12	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2840.9	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #13	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2899.8	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #14	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O	3028.6	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #15	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(N)C(=O)O[Si](C)(C)C	2752.2	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #16	C[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2640.8	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #17	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2840.7	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #18	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2891.7	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #19	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2832.1	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2744.5	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #20	C[Si](C)(C)OC(=O)C(CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2900.9	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #21	C[Si](C)(C)OC(=NCC(=O)O)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3042.3	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #22	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2833.3	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #23	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2921.3	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #24	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3044.7	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #25	C[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3039.4	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #3	C[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2680.6	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #4	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2775.6	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #5	C[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2679.6	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #6	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2831.9	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2895.5	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #8	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(N)C(=O)O)O[Si](C)(C)C	2717.2	Semi standard non polar	33892256
Glutathionate(1-),4TMS,isomer #9	C[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2667.8	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2677.8	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2643.9	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4122.6	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #10	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C	2989.5	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #10	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C	2770.2	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #10	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C	3838.0	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #11	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2991.2	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #11	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2806.3	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #11	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3970.9	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #12	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2760.6	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #12	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2750.3	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #12	C[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3704.0	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #13	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2817.3	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #13	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2747.2	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #13	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3631.8	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #14	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2977.4	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #14	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2845.1	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #14	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3854.0	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2985.9	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2803.5	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3889.2	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #16	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2987.9	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #16	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2820.4	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #16	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3972.0	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #2	C[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2637.7	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #2	C[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2660.3	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #2	C[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3538.5	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #3	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2771.9	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #3	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2669.7	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #3	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3676.3	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2849.1	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2688.2	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3658.8	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #5	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2782.3	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #5	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2709.8	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #5	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3815.9	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2844.8	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2736.6	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3686.2	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2982.6	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2753.8	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3927.5	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #8	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2742.4	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #8	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2701.6	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #8	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3681.5	Standard polar	33892256
Glutathionate(1-),5TMS,isomer #9	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2840.1	Semi standard non polar	33892256
Glutathionate(1-),5TMS,isomer #9	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2724.6	Standard non polar	33892256
Glutathionate(1-),5TMS,isomer #9	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3653.2	Standard polar	33892256
Glutathionate(1-),6TMS,isomer #1	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2757.5	Semi standard non polar	33892256
Glutathionate(1-),6TMS,isomer #1	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2729.4	Standard non polar	33892256
Glutathionate(1-),6TMS,isomer #1	C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3282.4	Standard polar	33892256
Glutathionate(1-),6TMS,isomer #2	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2811.6	Semi standard non polar	33892256
Glutathionate(1-),6TMS,isomer #2	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2787.0	Standard non polar	33892256
Glutathionate(1-),6TMS,isomer #2	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3494.3	Standard polar	33892256
Glutathionate(1-),6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2920.2	Semi standard non polar	33892256
Glutathionate(1-),6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2764.1	Standard non polar	33892256
Glutathionate(1-),6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3490.9	Standard polar	33892256
Glutathionate(1-),6TMS,isomer #4	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2921.9	Semi standard non polar	33892256
Glutathionate(1-),6TMS,isomer #4	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2807.3	Standard non polar	33892256
Glutathionate(1-),6TMS,isomer #4	C[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3659.1	Standard polar	33892256
Glutathionate(1-),6TMS,isomer #5	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2909.1	Semi standard non polar	33892256
Glutathionate(1-),6TMS,isomer #5	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2810.8	Standard non polar	33892256
Glutathionate(1-),6TMS,isomer #5	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3452.1	Standard polar	33892256
Glutathionate(1-),6TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2914.2	Semi standard non polar	33892256
Glutathionate(1-),6TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2838.4	Standard non polar	33892256
Glutathionate(1-),6TMS,isomer #6	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3544.4	Standard polar	33892256
Glutathionate(1-),7TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2905.7	Semi standard non polar	33892256
Glutathionate(1-),7TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2831.2	Standard non polar	33892256
Glutathionate(1-),7TMS,isomer #1	C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3167.2	Standard polar	33892256
Glutathionate(1-),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS)C(O)=NCC(=O)O	2990.2	Semi standard non polar	33892256
Glutathionate(1-),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)C(CS)N=C(O)CCC(N)C(=O)O	2989.6	Semi standard non polar	33892256
Glutathionate(1-),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(N)C(=O)O	3077.1	Semi standard non polar	33892256
Glutathionate(1-),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS)C(O)=NCC(=O)O	3033.1	Semi standard non polar	33892256
Glutathionate(1-),1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O	3162.0	Semi standard non polar	33892256
Glutathionate(1-),1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O	3114.3	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3126.6	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3184.5	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O	3348.1	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3284.8	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O	3283.5	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3241.7	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)C(=O)O	3382.3	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3357.2	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3157.0	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3170.2	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O	3268.9	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3225.0	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(O)CCC(N)C(=O)O	3164.3	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3125.2	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O	3277.1	Semi standard non polar	33892256
Glutathionate(1-),2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3235.6	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3305.4	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3529.2	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(CS)C(O)=NCC(=O)O	3517.9	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3303.3	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O	3462.1	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3389.2	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3442.7	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3348.1	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3521.7	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)C(CS)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3499.7	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3470.9	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3320.9	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3392.4	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3561.0	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3540.0	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3510.9	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)=NC(CS)C(O)=NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3518.8	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O	3641.6	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3447.2	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3368.6	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3295.5	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3450.0	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3383.0	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3473.1	Semi standard non polar	33892256
Glutathionate(1-),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3398.0	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3424.1	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3662.3	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3713.3	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3690.6	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3717.1	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O	3841.9	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3592.8	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3465.3	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3670.6	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3690.4	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3649.8	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3604.2	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3685.0	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3828.5	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(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	3677.9	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(O)CCC(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	3703.7	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3841.9	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)=NC(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	3835.8	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3491.8	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3626.9	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3514.6	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3678.6	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3720.9	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3583.8	Semi standard non polar	33892256
Glutathionate(1-),4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3487.9	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3717.4	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3375.6	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4134.0	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	4014.9	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3435.5	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C	3937.2	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4026.4	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3524.3	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4084.0	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3772.5	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3484.2	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3895.7	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(O)CCC(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	3830.9	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(O)CCC(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	3508.4	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(O)CCC(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	3960.8	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3999.0	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3546.4	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3976.2	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4010.5	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3522.9	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4028.1	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(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	4015.4	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(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	3614.6	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS[Si](C)(C)C(C)(C)C)N=C(O)CCC(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	4122.4	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3590.6	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3403.1	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3897.1	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3775.1	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3366.6	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3844.8	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3876.5	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3419.8	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3985.0	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3805.8	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3457.6	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3989.5	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(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)O[Si](C)(C)C(C)(C)C	3871.2	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(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)O[Si](C)(C)C(C)(C)C	3522.1	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CS)N=C(CCC(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)O[Si](C)(C)C(C)(C)C	4012.6	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4034.4	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3494.9	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4063.1	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3766.8	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3397.8	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3827.0	Standard polar	33892256
Glutathionate(1-),5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3858.5	Semi standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3443.5	Standard non polar	33892256
Glutathionate(1-),5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CS)N=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3966.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (Non-derivatized) - 70eV, Positive	splash10-06r6-9370000000-d18730361144ab58ca14	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutathionate(1-) GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathionate(1-) 6V, Positive-QTOF	splash10-01t9-1951000000-0d93e24a9aeabd193355	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Glutathionate(1-) 6V, Positive-QTOF	splash10-01t9-1951000000-fb1b09ce41688a9a2c21	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 10V, Positive-QTOF	splash10-072c-3391000000-1091e3b6162eb81b319e	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 20V, Positive-QTOF	splash10-00di-9430000000-65e2306af3b9f6ee2895	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 40V, Positive-QTOF	splash10-00di-9200000000-a2c84db6d0d0d275f0ad	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 10V, Negative-QTOF	splash10-0a59-1194000000-12b357a97a49ee760011	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 20V, Negative-QTOF	splash10-00c9-3691000000-1fd3bf93bca89d7cb333	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 40V, Negative-QTOF	splash10-00dl-9500000000-fa7088a19f7c3ed1d58b	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 10V, Positive-QTOF	splash10-0a6r-2849000000-62f4aa69710c7ceeb6f2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 20V, Positive-QTOF	splash10-02ki-3900000000-9ca7be8a2a0ac8be3d23	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 40V, Positive-QTOF	splash10-000i-9300000000-dd9e57f96e70bc8fb688	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 10V, Negative-QTOF	splash10-05di-2953000000-5742b3f9828d1dfe0cd3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 20V, Negative-QTOF	splash10-004i-1920000000-5230d9f3e8f68f69642d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutathionate(1-) 40V, Negative-QTOF	splash10-004l-9700000000-6e40d925f452599dadc9	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

725

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

745

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Glutathionate(1-) (HMDB0062697)

MOL for HMDB0062697 (Glutathionate(1-))

3D MOL for HMDB0062697 (Glutathionate(1-))

3D SDF for HMDB0062697 (Glutathionate(1-))

3D-SDF for HMDB0062697 (Glutathionate(1-))

PDB for HMDB0062697 (Glutathionate(1-))

3D PDB for HMDB0062697 (Glutathionate(1-))

SMILES for HMDB0062697 (Glutathionate(1-))

INCHI for HMDB0062697 (Glutathionate(1-))

Structure for HMDB0062697 (Glutathionate(1-))

3D Structure for HMDB0062697 (Glutathionate(1-))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra