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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 18:23:28 UTC

Update Date

2021-09-26 23:13:47 UTC

HMDB ID

HMDB0257426

Secondary Accession Numbers

None

Metabolite Identification

Common Name

S-Pyruvylglutathione

Description

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-oxopropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 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 very few articles have been published on 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-oxopropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). S-pyruvylglutathione is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically S-Pyruvylglutathione is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0257426
     RDKit          3D
S-Pyruvylglutathione
 44 43  0  0  0  0  0  0  0  0999 V2000
   -3.7509   -3.1771    1.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -2.2444    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405   -2.4392   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898   -1.1870   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2071   -1.0874    0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608   -0.0546   -1.4090 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -0.0315   -1.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    0.5551   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    0.5137   -0.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753   -0.2199    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -0.8306    0.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254   -0.2807   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -1.1397    0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674   -1.2922    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4733   -2.1685    1.7292 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860   -1.9178   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -3.0425   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665   -1.2346   -1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819    2.0034   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    2.8684   -0.4701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505    2.4870    0.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670    3.8986    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558    4.2087    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9320    3.3154    0.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238    5.5208    0.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399   -2.7747    1.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612   -3.3348    2.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9985   -4.1757    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    0.6369   -2.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.0341   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -0.0159    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    1.0490   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0928   -0.7263   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032    0.7269   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156   -2.1649    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562   -0.7837    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6100   -0.3402    0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -3.1192    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360   -1.8290    2.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -1.4622   -2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2326    1.8349    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610    4.4123   -0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560    4.2351    1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    5.8426    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  7 29  1  0
  7 30  1  0
  8 31  1  0
  9 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 18 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
 25 44  1  0
M  END


  Mrv1652309112120232D          

 25 24  0  0  0  0            999 V2000
   -0.6528    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    8.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229    7.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    8.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    7.3142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    7.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    6.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    5.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    6.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    4.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257426

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C(=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H19N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h7-8H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)

> <INCHI_KEY>
PPLZFKVEEDKGDM-UHFFFAOYSA-N

> <FORMULA>
C13H19N3O8S

> <MOLECULAR_WEIGHT>
377.37

> <EXACT_MASS>
377.089285758

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.280266499099916

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-[(2-oxopropanoyl)sulfanyl]ethyl}carbamoyl)butanoic acid

> <ALOGPS_LOGP>
-2.45

> <JCHEM_LOGP>
-4.612407905906914

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.298923436270433

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7306025438853547

> <JCHEM_PKA_STRONGEST_BASIC>
9.310871505140595

> <JCHEM_POLAR_SURFACE_AREA>
192.96

> <JCHEM_REFRACTIVITY>
83.92869999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.94e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-{[1-(carboxymethylcarbamoyl)-2-[(2-oxopropanoyl)sulfanyl]ethyl]carbamoyl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257426
     RDKit          3D
S-Pyruvylglutathione
 44 43  0  0  0  0  0  0  0  0999 V2000
   -3.7509   -3.1771    1.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -2.2444    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405   -2.4392   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898   -1.1870   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2071   -1.0874    0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608   -0.0546   -1.4090 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -0.0315   -1.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    0.5551   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    0.5137   -0.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753   -0.2199    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -0.8306    0.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254   -0.2807   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -1.1397    0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674   -1.2922    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4733   -2.1685    1.7292 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860   -1.9178   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -3.0425   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665   -1.2346   -1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819    2.0034   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    2.8684   -0.4701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505    2.4870    0.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670    3.8986    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558    4.2087    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9320    3.3154    0.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238    5.5208    0.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399   -2.7747    1.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612   -3.3348    2.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9985   -4.1757    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    0.6369   -2.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.0341   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -0.0159    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    1.0490   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0928   -0.7263   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032    0.7269   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156   -2.1649    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562   -0.7837    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6100   -0.3402    0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -3.1192    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360   -1.8290    2.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -1.4622   -2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2326    1.8349    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610    4.4123   -0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560    4.2351    1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    5.8426    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  7 29  1  0
  7 30  1  0
  8 31  1  0
  9 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 18 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
 25 44  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.219  16.855   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.714  15.399   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.723  14.235   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.798  15.108   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.806  16.272   0.000  0.00  0.00           O+0
HETATM    6  S   UNK     0       1.302  13.653   0.000  0.00  0.00           S+0
HETATM    7  C   UNK     0       2.814  13.362   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.318  11.907   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.310  10.743   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.798  11.034   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       2.814   9.288   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.806   8.124   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.310   6.668   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.822   6.377   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.302   5.504   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       4.830  11.616   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       5.334  10.161   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.326   8.997   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.847   9.870   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.351   8.415   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.863   8.124   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.367   6.668   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.879   6.377   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.359   5.504   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0       9.871   9.288   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    8   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   21                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

COMPND    HMDB0257426
HETATM    1  C1  UNL     1      -3.751  -3.177   1.372  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.227  -2.244   0.335  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.041  -2.439  -0.016  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.990  -1.187  -0.248  1.00  0.00           C  
HETATM    5  O2  UNL     1      -5.207  -1.087   0.126  1.00  0.00           O  
HETATM    6  S1  UNL     1      -3.361  -0.055  -1.409  1.00  0.00           S  
HETATM    7  C4  UNL     1      -1.611  -0.032  -1.672  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.852   0.555  -0.500  1.00  0.00           C  
HETATM    9  N1  UNL     1       0.590   0.514  -0.815  1.00  0.00           N  
HETATM   10  C6  UNL     1       1.475  -0.220   0.007  1.00  0.00           C  
HETATM   11  O3  UNL     1       1.025  -0.831   0.999  1.00  0.00           O  
HETATM   12  C7  UNL     1       2.925  -0.281  -0.281  1.00  0.00           C  
HETATM   13  C8  UNL     1       3.587  -1.140   0.752  1.00  0.00           C  
HETATM   14  C9  UNL     1       5.067  -1.292   0.608  1.00  0.00           C  
HETATM   15  N2  UNL     1       5.473  -2.169   1.729  1.00  0.00           N  
HETATM   16  C10 UNL     1       5.486  -1.918  -0.666  1.00  0.00           C  
HETATM   17  O4  UNL     1       6.029  -3.043  -0.678  1.00  0.00           O  
HETATM   18  O5  UNL     1       5.267  -1.235  -1.849  1.00  0.00           O  
HETATM   19  C11 UNL     1      -1.182   2.003  -0.301  1.00  0.00           C  
HETATM   20  O6  UNL     1      -0.259   2.868  -0.470  1.00  0.00           O  
HETATM   21  N3  UNL     1      -2.450   2.487   0.064  1.00  0.00           N  
HETATM   22  C12 UNL     1      -2.667   3.899   0.228  1.00  0.00           C  
HETATM   23  C13 UNL     1      -4.056   4.209   0.612  1.00  0.00           C  
HETATM   24  O7  UNL     1      -4.932   3.315   0.773  1.00  0.00           O  
HETATM   25  O8  UNL     1      -4.424   5.521   0.805  1.00  0.00           O  
HETATM   26  H1  UNL     1      -4.640  -2.775   1.877  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.961  -3.335   2.137  1.00  0.00           H  
HETATM   28  H3  UNL     1      -3.999  -4.176   0.959  1.00  0.00           H  
HETATM   29  H4  UNL     1      -1.413   0.637  -2.562  1.00  0.00           H  
HETATM   30  H5  UNL     1      -1.188  -1.034  -1.893  1.00  0.00           H  
HETATM   31  H6  UNL     1      -1.067  -0.016   0.391  1.00  0.00           H  
HETATM   32  H7  UNL     1       0.879   1.049  -1.658  1.00  0.00           H  
HETATM   33  H8  UNL     1       3.093  -0.726  -1.287  1.00  0.00           H  
HETATM   34  H9  UNL     1       3.403   0.727  -0.223  1.00  0.00           H  
HETATM   35  H10 UNL     1       3.116  -2.165   0.673  1.00  0.00           H  
HETATM   36  H11 UNL     1       3.356  -0.784   1.781  1.00  0.00           H  
HETATM   37  H12 UNL     1       5.610  -0.340   0.742  1.00  0.00           H  
HETATM   38  H13 UNL     1       5.107  -3.119   1.452  1.00  0.00           H  
HETATM   39  H14 UNL     1       4.936  -1.829   2.559  1.00  0.00           H  
HETATM   40  H15 UNL     1       5.776  -1.462  -2.697  1.00  0.00           H  
HETATM   41  H16 UNL     1      -3.233   1.835   0.221  1.00  0.00           H  
HETATM   42  H17 UNL     1      -2.361   4.412  -0.711  1.00  0.00           H  
HETATM   43  H18 UNL     1      -1.956   4.235   1.038  1.00  0.00           H  
HETATM   44  H19 UNL     1      -5.376   5.843   0.828  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3    3    4
CONECT    4    5    5    6
CONECT    6    7
CONECT    7    8   29   30
CONECT    8    9   19   31
CONECT    9   10   32
CONECT   10   11   11   12
CONECT   12   13   33   34
CONECT   13   14   35   36
CONECT   14   15   16   37
CONECT   15   38   39
CONECT   16   17   17   18
CONECT   18   40
CONECT   19   20   20   21
CONECT   21   22   41
CONECT   22   23   42   43
CONECT   23   24   24   25
CONECT   25   44
END

HMDB0257426
     RDKit          3D
S-Pyruvylglutathione
 44 43  0  0  0  0  0  0  0  0999 V2000
   -3.7509   -3.1771    1.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -2.2444    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405   -2.4392   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898   -1.1870   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2071   -1.0874    0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608   -0.0546   -1.4090 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -0.0315   -1.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    0.5551   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    0.5137   -0.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753   -0.2199    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -0.8306    0.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254   -0.2807   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -1.1397    0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674   -1.2922    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4733   -2.1685    1.7292 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860   -1.9178   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -3.0425   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665   -1.2346   -1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819    2.0034   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    2.8684   -0.4701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505    2.4870    0.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670    3.8986    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558    4.2087    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9320    3.3154    0.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238    5.5208    0.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399   -2.7747    1.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612   -3.3348    2.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9985   -4.1757    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    0.6369   -2.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.0341   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -0.0159    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    1.0490   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0928   -0.7263   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032    0.7269   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156   -2.1649    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562   -0.7837    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6100   -0.3402    0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -3.1192    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360   -1.8290    2.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -1.4622   -2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2326    1.8349    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610    4.4123   -0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560    4.2351    1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    5.8426    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  7 29  1  0
  7 30  1  0
  8 31  1  0
  9 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 18 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
 25 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-oxopropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoate	Generator
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-oxopropanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoate	Generator
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-oxopropanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	Generator

Chemical Formula

C₁₃H₁₉N₃O₈S

Average Molecular Weight

377.37

Monoisotopic Molecular Weight

377.089285758

IUPAC Name

2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-[(2-oxopropanoyl)sulfanyl]ethyl}carbamoyl)butanoic acid

Traditional Name

2-amino-4-{[1-(carboxymethylcarbamoyl)-2-[(2-oxopropanoyl)sulfanyl]ethyl]carbamoyl}butanoic acid

CAS Registry Number

Not Available

SMILES

CC(=O)C(=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C13H19N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h7-8H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)

InChI Key

PPLZFKVEEDKGDM-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
N-acyl-amine
Fatty acyl
Fatty acid
Fatty amide
Dicarboxylic acid or derivatives
Amino acid
Ketone
Secondary carboxylic acid amide
Carboxamide group
Thiocarboxylic acid ester
Amino acid or derivatives
Carbothioic s-ester
Sulfenyl compound
Thiocarboxylic acid or derivatives
Carboxylic acid
Organosulfur compound
Primary amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Amine
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

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	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.4	ALOGPS
logP	-4.6	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	192.96 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	83.93 m³·mol⁻¹	ChemAxon
Polarizability	35.28 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	181.984	30932474
DeepCCS	[M-H]-	179.626	30932474
DeepCCS	[M-2H]-	212.832	30932474
DeepCCS	[M+Na]+	188.077	30932474
AllCCS	[M+H]+	180.0	32859911
AllCCS	[M+H-H2O]+	177.7	32859911
AllCCS	[M+NH4]+	182.1	32859911
AllCCS	[M+Na]+	182.7	32859911
AllCCS	[M-H]-	179.6	32859911
AllCCS	[M+Na-2H]-	179.9	32859911
AllCCS	[M+HCOO]-	180.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
S-Pyruvylglutathione	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O	4261.7	Standard polar	33892256
S-Pyruvylglutathione	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O	2291.9	Standard non polar	33892256
S-Pyruvylglutathione	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O	3646.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
S-Pyruvylglutathione,3TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3163.9	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2958.8	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	5341.0	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #10	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3239.7	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #10	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3066.9	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #10	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4557.5	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3153.4	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3083.8	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5096.9	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #12	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	3234.5	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #12	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	3000.7	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #12	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	4950.6	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #13	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3118.5	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #13	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3013.4	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #13	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	5503.5	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #14	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3158.7	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #14	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2977.9	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #14	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	5459.3	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #15	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3175.3	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #15	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3110.6	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #15	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4748.1	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #16	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3390.1	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #16	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3143.4	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #16	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4804.5	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #17	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3221.3	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #17	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3065.6	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #17	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4703.6	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #18	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3157.2	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #18	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3113.8	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #18	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	5346.9	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #19	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3216.1	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #19	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3022.6	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #19	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4973.9	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #2	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3217.7	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #2	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3059.7	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #2	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4668.5	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #20	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3387.8	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #20	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3056.2	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #20	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4997.6	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #21	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	3259.1	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #21	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	3016.9	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #21	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	4855.0	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #22	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3185.4	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #22	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3016.7	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #22	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	5404.0	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #23	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3196.3	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #23	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3135.4	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #23	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4699.6	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #24	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3322.7	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #24	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3168.0	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #24	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4829.5	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #25	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3396.9	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #25	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3168.7	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #25	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4717.7	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #3	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3112.4	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #3	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3078.9	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #3	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5206.5	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #4	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3151.6	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #4	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3036.3	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #4	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	5181.4	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #5	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	3238.9	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #5	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	2969.7	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #5	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	4846.7	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #6	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3140.8	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #6	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2974.6	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #6	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5294.2	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #7	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3191.2	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #7	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2964.7	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #7	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	5204.6	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #8	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3175.9	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #8	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3075.5	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #8	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4661.9	Standard polar	33892256
S-Pyruvylglutathione,3TMS,isomer #9	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3357.0	Semi standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #9	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3063.4	Standard non polar	33892256
S-Pyruvylglutathione,3TMS,isomer #9	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4754.9	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3199.2	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3022.2	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4354.0	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #10	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3222.5	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #10	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3039.9	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #10	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4297.6	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #11	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3156.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #11	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3035.5	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #11	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4862.7	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #12	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3170.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #12	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3162.0	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #12	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4156.7	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #13	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3307.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #13	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3167.6	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #13	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4328.8	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #14	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3353.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #14	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3157.3	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #14	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4250.5	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #15	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3160.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #15	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3072.9	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #15	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4466.2	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #16	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3362.3	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #16	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3094.9	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #16	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4519.4	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #17	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3174.3	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #17	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3037.5	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #17	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4421.6	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #18	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3134.0	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #18	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	3040.1	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #18	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	5079.0	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #19	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3164.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #19	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3158.8	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #19	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4267.8	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3074.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3023.0	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4963.6	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #20	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3324.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #20	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3227.7	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #20	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4352.3	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #21	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3353.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #21	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3189.7	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #21	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4320.4	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #22	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3203.4	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #22	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3095.8	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #22	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4452.1	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #23	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3346.1	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #23	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3136.4	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #23	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4572.7	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #24	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3391.8	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #24	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3127.2	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #24	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4476.7	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #25	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3341.2	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #25	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3259.9	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #25	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4346.3	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3102.9	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2991.6	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4935.3	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #4	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3132.9	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #4	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3138.8	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #4	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4168.6	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #5	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3351.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #5	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3132.9	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #5	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4306.7	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #6	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3174.9	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #6	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3100.0	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #6	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4144.8	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #7	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3113.0	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #7	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3111.9	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #7	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4815.7	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #8	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3172.2	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #8	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3042.2	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #8	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4388.4	Standard polar	33892256
S-Pyruvylglutathione,4TMS,isomer #9	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3347.0	Semi standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #9	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3032.3	Standard non polar	33892256
S-Pyruvylglutathione,4TMS,isomer #9	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4474.3	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3115.6	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3100.1	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3954.9	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #10	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3337.9	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #10	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3111.2	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #10	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4056.2	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3310.0	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3255.1	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3931.4	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #12	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3151.7	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #12	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3117.0	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #12	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4075.1	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #13	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3325.6	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #13	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3172.8	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #13	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4154.6	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #14	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3323.0	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #14	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3138.1	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #14	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4117.1	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #15	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3310.2	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #15	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3278.3	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #15	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3988.6	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #16	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3366.2	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #16	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3206.1	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #16	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4184.7	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3314.0	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3089.1	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4072.8	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3140.4	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3076.3	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3931.3	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #4	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3061.5	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #4	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3062.2	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #4	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4638.5	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #5	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3116.7	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #5	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3193.9	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #5	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3779.9	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #6	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3286.3	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #6	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3219.6	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #6	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3913.2	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #7	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3291.9	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #7	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3185.3	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #7	CC(=O)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3891.0	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #8	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3168.3	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #8	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3118.5	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #8	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3976.7	Standard polar	33892256
S-Pyruvylglutathione,5TMS,isomer #9	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3320.0	Semi standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #9	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3119.8	Standard non polar	33892256
S-Pyruvylglutathione,5TMS,isomer #9	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4128.1	Standard polar	33892256
S-Pyruvylglutathione,6TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3111.3	Semi standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3166.0	Standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3662.5	Standard polar	33892256
S-Pyruvylglutathione,6TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3282.6	Semi standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3182.9	Standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #2	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3767.8	Standard polar	33892256
S-Pyruvylglutathione,6TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3281.4	Semi standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3160.3	Standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #3	C=C(O[Si](C)(C)C)C(=O)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3745.7	Standard polar	33892256
S-Pyruvylglutathione,6TMS,isomer #4	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3279.9	Semi standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #4	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3284.9	Standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #4	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3625.3	Standard polar	33892256
S-Pyruvylglutathione,6TMS,isomer #5	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3324.9	Semi standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #5	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3208.5	Standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #5	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3801.7	Standard polar	33892256
S-Pyruvylglutathione,6TMS,isomer #6	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3318.8	Semi standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #6	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3229.8	Standard non polar	33892256
S-Pyruvylglutathione,6TMS,isomer #6	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3849.9	Standard polar	33892256
S-Pyruvylglutathione,7TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3302.3	Semi standard non polar	33892256
S-Pyruvylglutathione,7TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3260.0	Standard non polar	33892256
S-Pyruvylglutathione,7TMS,isomer #1	C=C(O[Si](C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3563.9	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #1	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3859.6	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #1	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3430.4	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #1	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	5061.2	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #10	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3914.8	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #10	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3535.8	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #10	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4489.7	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3836.5	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3560.4	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #11	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4906.8	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #12	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3908.5	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #12	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3469.8	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #12	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4714.3	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #13	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3841.8	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #13	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3482.0	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #13	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	5164.0	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #14	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3857.2	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #14	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3460.5	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #14	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5153.0	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #15	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3895.5	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #15	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3588.2	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #15	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4583.4	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #16	CC(=O)C(=O)SCC(NC(=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[Si](C)(C)C(C)(C)C	4049.3	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #16	CC(=O)C(=O)SCC(NC(=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[Si](C)(C)C(C)(C)C	3593.4	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #16	CC(=O)C(=O)SCC(NC(=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[Si](C)(C)C(C)(C)C	4624.4	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #17	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3926.4	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #17	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3560.3	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #17	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4569.2	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #18	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3843.2	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #18	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3607.7	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #18	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	5065.4	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #19	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3905.7	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #19	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3488.2	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #19	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4742.1	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #2	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3911.3	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #2	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3542.7	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #2	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4525.6	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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	4021.0	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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	3487.3	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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	4762.3	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3930.6	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3471.5	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4681.9	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #22	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3866.8	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #22	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3483.1	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #22	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	5130.9	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #23	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3904.5	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #23	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3594.2	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #23	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4589.2	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #24	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(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	4015.0	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #24	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(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	3613.2	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #24	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(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	4644.7	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #25	CC(=O)C(=O)SCC(NC(=O)CCC(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	4032.7	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #25	CC(=O)C(=O)SCC(NC(=O)CCC(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	3602.5	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #25	CC(=O)C(=O)SCC(NC(=O)CCC(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	4595.4	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #3	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3861.1	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #3	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3560.6	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #3	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4948.9	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #4	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(=O)O[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	3870.4	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #4	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(=O)O[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	3531.7	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #4	CC(=O)C(=O)SCC(NC(=O)CCC(N)C(=O)O[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	4943.7	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3900.4	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3452.0	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4647.9	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3843.3	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3453.6	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5031.5	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #7	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3865.2	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #7	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3435.5	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #7	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4990.5	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #8	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3878.9	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #8	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3552.7	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #8	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4532.8	Standard polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #9	CC(=O)C(=O)SCC(NC(=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)C(=O)NCC(=O)O	4033.8	Semi standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #9	CC(=O)C(=O)SCC(NC(=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)C(=O)NCC(=O)O	3555.2	Standard non polar	33892256
S-Pyruvylglutathione,3TBDMS,isomer #9	CC(=O)C(=O)SCC(NC(=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)C(=O)NCC(=O)O	4601.7	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #1	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4059.9	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #1	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3629.8	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #1	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4371.7	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #10	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4072.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #10	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3634.5	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #10	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4363.0	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4048.3	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3632.1	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4771.2	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #12	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4059.6	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #12	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3745.2	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #12	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4285.0	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #13	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)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)[Si](C)(C)C(C)(C)C	4215.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #13	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)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)[Si](C)(C)C(C)(C)C	3761.5	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #13	CC(=O)C(=O)SCC(C(=O)NCC(=O)O)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)[Si](C)(C)C(C)(C)C	4348.6	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #14	CC(=O)C(=O)SCC(NC(=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)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4228.0	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #14	CC(=O)C(=O)SCC(NC(=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)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3740.3	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #14	CC(=O)C(=O)SCC(NC(=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)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4314.1	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4075.4	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3668.5	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4441.2	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #16	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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[Si](C)(C)C(C)(C)C	4227.8	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #16	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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[Si](C)(C)C(C)(C)C	3658.5	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #16	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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[Si](C)(C)C(C)(C)C	4466.5	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #17	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4075.5	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #17	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3650.6	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #17	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4425.3	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	4045.4	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3651.2	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	4899.8	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #19	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4068.6	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #19	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3762.5	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #19	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4353.3	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #2	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4027.6	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #2	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3620.4	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #2	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4788.9	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #20	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[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)[Si](C)(C)C(C)(C)C	4216.6	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #20	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[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)[Si](C)(C)C(C)(C)C	3784.2	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #20	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[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)[Si](C)(C)C(C)(C)C	4360.1	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #21	CC(=O)C(=O)SCC(NC(=O)CCC(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)[Si](C)(C)C(C)(C)C	4224.6	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #21	CC(=O)C(=O)SCC(NC(=O)CCC(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)[Si](C)(C)C(C)(C)C	3759.0	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #21	CC(=O)C(=O)SCC(NC(=O)CCC(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)[Si](C)(C)C(C)(C)C	4348.4	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #22	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4086.4	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #22	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3678.9	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #22	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4468.4	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #23	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(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	4226.8	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #23	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(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	3687.8	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #23	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(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	4509.6	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #24	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(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	4232.5	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #24	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(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	3672.2	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #24	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(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	4467.2	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #25	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[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)[Si](C)(C)C(C)(C)C	4214.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #25	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[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)[Si](C)(C)C(C)(C)C	3809.4	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #25	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O)[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)[Si](C)(C)C(C)(C)C	4395.5	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #3	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[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	4030.3	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #3	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[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	3606.1	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #3	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=O)CCC(N)C(=O)O[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	4781.3	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #4	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4066.4	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #4	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3727.5	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #4	CC(=O)C(=O)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4262.1	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #5	CC(=O)C(=O)SCC(NC(=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)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4233.3	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #5	CC(=O)C(=O)SCC(NC(=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)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3732.0	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #5	CC(=O)C(=O)SCC(NC(=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)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4331.5	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #6	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[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	4070.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #6	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[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	3704.4	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #6	CC(=O)C(=O)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[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	4259.1	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #7	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4055.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #7	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3730.4	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #7	CC(=O)C(=O)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4703.8	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #8	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4076.7	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #8	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3652.0	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #8	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4397.6	Standard polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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)C(=O)NCC(=O)O	4231.8	Semi standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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)C(=O)NCC(=O)O	3646.2	Standard non polar	33892256
S-Pyruvylglutathione,4TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)C(=O)SCC(NC(=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)C(=O)NCC(=O)O	4443.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f6x-9466000000-80328947354738de2128	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Pyruvylglutathione GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

2883913

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for S-Pyruvylglutathione (HMDB0257426)

MOL for HMDB0257426 (S-Pyruvylglutathione)

3D MOL for HMDB0257426 (S-Pyruvylglutathione)

3D SDF for HMDB0257426 (S-Pyruvylglutathione)

3D-SDF for HMDB0257426 (S-Pyruvylglutathione)

PDB for HMDB0257426 (S-Pyruvylglutathione)

3D PDB for HMDB0257426 (S-Pyruvylglutathione)

SMILES for HMDB0257426 (S-Pyruvylglutathione)

INCHI for HMDB0257426 (S-Pyruvylglutathione)

Structure for HMDB0257426 (S-Pyruvylglutathione)

3D Structure for HMDB0257426 (S-Pyruvylglutathione)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra