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enzymes (3) Show 3 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:20:00 UTC

HMDB ID

HMDB0001066

Secondary Accession Numbers

HMDB01066

Metabolite Identification

Common Name

S-Lactoylglutathione

Description

S-Lactoylglutathione 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. S-Lactoylglutathione is a very strong basic compound (based on its pKa). S-Lactoylglutathione exists in all living species, ranging from bacteria to humans. Within humans, S-lactoylglutathione participates in a number of enzymatic reactions. In particular, S-lactoylglutathione can be converted into glutathione and D-lactic acid; which is mediated by the enzyme hydroxyacylglutathione hydrolase, mitochondrial. In addition, S-lactoylglutathione can be converted into glutathione and pyruvaldehyde through the action of the enzyme lactoylglutathione lyase. In humans, S-lactoylglutathione is involved in pyruvate metabolism. Outside of the human body, S-Lactoylglutathione has been detected, but not quantified in, several different foods, such as sweet potato, pistachio, guava, welsh onions, and german camomiles. This could make S-lactoylglutathione a potential biomarker for the consumption of these foods. The S- derivative of glutathione.

Structure

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

HMDB0001066
     RDKit          3D
S-Lactoylglutathione
 46 45  0  0  0  0  0  0  0  0999 V2000
   -5.1401   -2.7183   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1777   -2.1398    0.4267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7015   -3.0347    1.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264   -1.7031    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826   -2.1568    1.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508   -0.5565   -0.0731 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839   -0.2753    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    0.6894    0.0550 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8388    0.7671    0.8876 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    0.3102    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -0.1736   -0.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105    0.3803    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   -0.1557    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097   -1.6190    0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2602   -2.4588    1.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -1.9471   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310   -2.8287    0.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651   -1.3019   -1.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    2.0174   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191    3.0518    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    2.2368   -1.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    3.5495   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638    4.4227   -1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195    3.9829   -2.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    5.7400   -2.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179   -3.8065   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1058   -2.5426   -1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3535   -2.2164   -1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650   -1.2604    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9931   -2.5040    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2420    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930    0.0303    1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.2451   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.1617    1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373   -0.0796    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    1.4628    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622   -0.0629    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    0.4725   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7406   -1.8658   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9047   -3.2846    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -1.9339    2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2298   -1.6778   -2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    1.4400   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    4.0305   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4446    3.4849   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190    6.0701   -3.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  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
  2 29  1  6
  3 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  6
  9 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  6
 15 40  1  0
 15 41  1  0
 18 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 25 46  1  0
M  END

ChEBI
  Mrv1652309042000172D          

 25 24  0  0  1  0            999 V2000
   14.6394  -28.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9249  -28.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9249  -27.6524    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2104  -27.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2104  -26.4149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9249  -26.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6394  -26.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6394  -27.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3539  -26.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0684  -26.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7828  -26.0024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4973  -26.4149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7828  -25.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4973  -24.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0684  -24.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4959  -26.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4959  -25.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7815  -26.4149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0670  -26.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524  -26.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6381  -26.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524  -27.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2104  -28.8899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4959  -28.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2104  -29.7149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0001066

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H21N3O8S/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/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1

> <INCHI_KEY>
VDYDCVUWILIYQF-CSMHCCOUSA-N

> <FORMULA>
C13H21N3O8S

> <MOLECULAR_WEIGHT>
379.386

> <EXACT_MASS>
379.104935353

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
36.011916776462776

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.88

> <JCHEM_LOGP>
-5.369701498472575

> <ALOGPS_LOGS>
-1.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.343963632400796

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7414579722275407

> <JCHEM_PKA_STRONGEST_BASIC>
9.311036181503438

> <JCHEM_POLAR_SURFACE_AREA>
196.12

> <JCHEM_REFRACTIVITY>
84.7788

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
S-lactoylglutathione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001066
     RDKit          3D
S-Lactoylglutathione
 46 45  0  0  0  0  0  0  0  0999 V2000
   -5.1401   -2.7183   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1777   -2.1398    0.4267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7015   -3.0347    1.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264   -1.7031    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826   -2.1568    1.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508   -0.5565   -0.0731 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839   -0.2753    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    0.6894    0.0550 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8388    0.7671    0.8876 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    0.3102    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -0.1736   -0.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105    0.3803    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   -0.1557    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097   -1.6190    0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2602   -2.4588    1.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -1.9471   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310   -2.8287    0.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651   -1.3019   -1.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    2.0174   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191    3.0518    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    2.2368   -1.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    3.5495   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638    4.4227   -1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195    3.9829   -2.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    5.7400   -2.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179   -3.8065   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1058   -2.5426   -1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3535   -2.2164   -1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650   -1.2604    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9931   -2.5040    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2420    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930    0.0303    1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.2451   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.1617    1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373   -0.0796    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    1.4628    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622   -0.0629    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    0.4725   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7406   -1.8658   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9047   -3.2846    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -1.9339    2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2298   -1.6778   -2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    1.4400   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    4.0305   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4446    3.4849   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190    6.0701   -3.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  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
  2 29  1  6
  3 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  6
  9 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  6
 15 40  1  0
 15 41  1  0
 18 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 25 46  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ChEBI                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0      27.327 -53.928   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      25.993 -53.158   0.000  0.00  0.00           C+0
HETATM    3  S   UNK     0      25.993 -51.618   0.000  0.00  0.00           S+0
HETATM    4  C   UNK     0      24.659 -50.848   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      24.659 -49.308   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      25.993 -48.538   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      27.327 -49.308   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      27.327 -50.848   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      28.661 -48.538   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.994 -49.308   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      31.328 -48.538   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      32.662 -49.308   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      31.328 -46.998   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      32.662 -46.228   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      29.994 -46.228   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      23.326 -48.538   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      23.326 -46.998   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      21.992 -49.308   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      20.658 -48.538   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.324 -49.308   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      17.991 -48.538   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      19.324 -50.848   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      24.659 -53.928   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.326 -53.158   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      24.659 -55.468   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   16                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    5   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    2   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

COMPND    HMDB0001066
HETATM    1  C1  UNL     1      -5.140  -2.718  -0.971  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.178  -2.140   0.427  1.00  0.00           C  
HETATM    3  O1  UNL     1      -5.702  -3.035   1.345  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.826  -1.703   0.860  1.00  0.00           C  
HETATM    5  O2  UNL     1      -3.383  -2.157   1.898  1.00  0.00           O  
HETATM    6  S1  UNL     1      -2.851  -0.556  -0.073  1.00  0.00           S  
HETATM    7  C4  UNL     1      -1.284  -0.275   0.761  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.364   0.689   0.055  1.00  0.00           C  
HETATM    9  N1  UNL     1       0.839   0.767   0.888  1.00  0.00           N  
HETATM   10  C6  UNL     1       2.100   0.310   0.421  1.00  0.00           C  
HETATM   11  O3  UNL     1       2.179  -0.174  -0.741  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.311   0.380   1.239  1.00  0.00           C  
HETATM   13  C8  UNL     1       4.550  -0.156   0.630  1.00  0.00           C  
HETATM   14  C9  UNL     1       4.510  -1.619   0.256  1.00  0.00           C  
HETATM   15  N2  UNL     1       4.260  -2.459   1.410  1.00  0.00           N  
HETATM   16  C10 UNL     1       5.856  -1.947  -0.268  1.00  0.00           C  
HETATM   17  O4  UNL     1       6.531  -2.829   0.310  1.00  0.00           O  
HETATM   18  O5  UNL     1       6.365  -1.302  -1.368  1.00  0.00           O  
HETATM   19  C11 UNL     1      -0.933   2.017  -0.179  1.00  0.00           C  
HETATM   20  O6  UNL     1      -0.419   3.052   0.380  1.00  0.00           O  
HETATM   21  N3  UNL     1      -2.039   2.237  -1.003  1.00  0.00           N  
HETATM   22  C12 UNL     1      -2.616   3.549  -1.242  1.00  0.00           C  
HETATM   23  C13 UNL     1      -1.564   4.423  -1.860  1.00  0.00           C  
HETATM   24  O7  UNL     1      -0.420   3.983  -2.084  1.00  0.00           O  
HETATM   25  O8  UNL     1      -1.838   5.740  -2.198  1.00  0.00           O  
HETATM   26  H1  UNL     1      -4.918  -3.806  -0.909  1.00  0.00           H  
HETATM   27  H2  UNL     1      -6.106  -2.543  -1.478  1.00  0.00           H  
HETATM   28  H3  UNL     1      -4.353  -2.216  -1.560  1.00  0.00           H  
HETATM   29  H4  UNL     1      -5.865  -1.260   0.384  1.00  0.00           H  
HETATM   30  H5  UNL     1      -5.993  -2.504   2.134  1.00  0.00           H  
HETATM   31  H6  UNL     1      -0.714  -1.242   0.829  1.00  0.00           H  
HETATM   32  H7  UNL     1      -1.493   0.030   1.807  1.00  0.00           H  
HETATM   33  H8  UNL     1      -0.071   0.245  -0.903  1.00  0.00           H  
HETATM   34  H9  UNL     1       0.798   1.162   1.848  1.00  0.00           H  
HETATM   35  H10 UNL     1       3.137  -0.080   2.244  1.00  0.00           H  
HETATM   36  H11 UNL     1       3.505   1.463   1.462  1.00  0.00           H  
HETATM   37  H12 UNL     1       5.362  -0.063   1.397  1.00  0.00           H  
HETATM   38  H13 UNL     1       4.885   0.472  -0.219  1.00  0.00           H  
HETATM   39  H14 UNL     1       3.741  -1.866  -0.503  1.00  0.00           H  
HETATM   40  H15 UNL     1       4.905  -3.285   1.449  1.00  0.00           H  
HETATM   41  H16 UNL     1       4.436  -1.934   2.317  1.00  0.00           H  
HETATM   42  H17 UNL     1       6.230  -1.678  -2.307  1.00  0.00           H  
HETATM   43  H18 UNL     1      -2.493   1.440  -1.495  1.00  0.00           H  
HETATM   44  H19 UNL     1      -2.972   4.031  -0.324  1.00  0.00           H  
HETATM   45  H20 UNL     1      -3.445   3.485  -1.972  1.00  0.00           H  
HETATM   46  H21 UNL     1      -1.519   6.070  -3.091  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3    4   29
CONECT    3   30
CONECT    4    5    5    6
CONECT    6    7
CONECT    7    8   31   32
CONECT    8    9   19   33
CONECT    9   10   34
CONECT   10   11   11   12
CONECT   12   13   35   36
CONECT   13   14   37   38
CONECT   14   15   16   39
CONECT   15   40   41
CONECT   16   17   17   18
CONECT   18   42
CONECT   19   20   20   21
CONECT   21   22   43
CONECT   22   23   44   45
CONECT   23   24   24   25
CONECT   25   46
END

HMDB0001066
     RDKit          3D
S-Lactoylglutathione
 46 45  0  0  0  0  0  0  0  0999 V2000
   -5.1401   -2.7183   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1777   -2.1398    0.4267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7015   -3.0347    1.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264   -1.7031    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826   -2.1568    1.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508   -0.5565   -0.0731 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839   -0.2753    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    0.6894    0.0550 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8388    0.7671    0.8876 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    0.3102    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -0.1736   -0.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105    0.3803    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   -0.1557    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097   -1.6190    0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2602   -2.4588    1.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -1.9471   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310   -2.8287    0.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651   -1.3019   -1.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    2.0174   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191    3.0518    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    2.2368   -1.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    3.5495   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638    4.4227   -1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195    3.9829   -2.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    5.7400   -2.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179   -3.8065   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1058   -2.5426   -1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3535   -2.2164   -1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650   -1.2604    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9931   -2.5040    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2420    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930    0.0303    1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.2451   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.1617    1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373   -0.0796    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    1.4628    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622   -0.0629    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    0.4725   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7406   -1.8658   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9047   -3.2846    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -1.9339    2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2298   -1.6778   -2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    1.4400   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    4.0305   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4446    3.4849   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190    6.0701   -3.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  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
  2 29  1  6
  3 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  6
  9 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  6
 15 40  1  0
 15 41  1  0
 18 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 25 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
S-D-Lactoylglutathione	ChEBI
(R)-S-Lactoylglutathione	HMDB
D-Lactoylglutathione	HMDB
delta-Lactoylglutathione	HMDB
N-(N-L-gamma-Glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl)-glycine	HMDB
S-D-Lactoyl-glutathione	HMDB
S-delta-Lactoyl-glutathione	HMDB
S-delta-Lactoylglutathione	HMDB
S-Lactate glutathione	HMDB
S-Lactateglutathione	HMDB
S-Lactoyl-glutathione	HMDB
S-Lactylglutathione	HMDB
S-[(2R)-2-Hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycine	HMDB

Chemical Formula

C₁₃H₂₁N₃O₈S

Average Molecular Weight

379.386

Monoisotopic Molecular Weight

379.104935353

IUPAC Name

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

Traditional Name

S-lactoylglutathione

CAS Registry Number

25138-66-3

SMILES

C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C13H21N3O8S/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/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1

InChI Key

VDYDCVUWILIYQF-CSMHCCOUSA-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
S-(2-hydroxyacyl)glutathione
S-acylglutathione
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
N-acyl-amine
Fatty acyl
Fatty amide
Dicarboxylic acid or derivatives
Fatty acid
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Thiocarboxylic acid ester
Amino acid
Carboxamide group
Carbothioic s-ester
Sulfenyl compound
Carboxylic acid
Thiocarboxylic acid or derivatives
Organosulfur compound
Primary amine
Organic nitrogen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary aliphatic amine
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glutathione derivative (CHEBI:15694 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Organelle

Mitochondria

Mitochondria (HMDB: HMDB0001066)

Mitochondria (HMDB: HMDB0001066)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0001066)

Source

Endogenous

Endogenous (HMDB: HMDB0001066)

Plant

Animal

Animal (HMDB: HMDB0001066)

Exogenous

Food

Food (HMDB: HMDB0001066)

Animal origin

Poultry

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

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

Root vegetable

Shoot vegetable

Leaf vegetable

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

Fruit vegetable

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

Tuber

Stalk vegetable

Other vegetable

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

Mushroom

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

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

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

Pome

Berry

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

Other fruit

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

Drupe

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

Fruits (FooDB: FOOD00871)

Nut

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

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

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

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

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

Bean

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

Gourd

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

Coffee and coffee product

Coffee

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

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Dish

Other dish

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

Tea

Herbal tea

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

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

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

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Pyruvaldehyde Degradation (HMDB: HMDB0001066)
Pyruvate Metabolism (HMDB: HMDB0001066)
Methylglyoxal Degradation I (PathBank: SMP0002125)

Pyruvaldehyde Degradation (HMDB: HMDB0001066)

Disease pathway

Leigh Syndrome (PathBank: SMP0000196)
Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency) (PathBank: SMP0000334)
Pyruvate Dehydrogenase Complex Deficiency (PathBank: SMP0000212)
Primary Hyperoxaluria II, PH2 (PathBank: SMP0000558)
Pyruvate Kinase Deficiency (PathBank: SMP0000559)

Role

Not Available

Physical Properties

State

Solid

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

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	MetCCS_train_pos	187.71	30932474
[M-H]-	Not Available	173.943	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000042
[M+H]+	Not Available	188.184	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000042

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.55 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-5.4	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.74	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.12 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	84.78 m³·mol⁻¹	ChemAxon
Polarizability	36.01 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	187.239	31661259
DarkChem	[M+H]+	187.239	31661259
DarkChem	[M-H]-	181.822	31661259
DarkChem	[M-H]-	181.822	31661259
AllCCS	[M+H]+	182.368	32859911
AllCCS	[M-H]-	180.329	32859911
DeepCCS	[M+H]+	185.658	30932474
DeepCCS	[M-H]-	183.3	30932474
DeepCCS	[M-2H]-	217.189	30932474
DeepCCS	[M+Na]+	192.389	30932474
AllCCS	[M+H]+	182.4	32859911
AllCCS	[M+H-H2O]+	180.1	32859911
AllCCS	[M+NH4]+	184.4	32859911
AllCCS	[M+Na]+	185.0	32859911
AllCCS	[M-H]-	180.3	32859911
AllCCS	[M+Na-2H]-	180.8	32859911
AllCCS	[M+HCOO]-	181.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
S-Lactoylglutathione	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	4596.7	Standard polar	33892256
S-Lactoylglutathione	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	2599.8	Standard non polar	33892256
S-Lactoylglutathione	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	3533.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
S-Lactoylglutathione,1TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	3225.4	Semi standard non polar	33892256
S-Lactoylglutathione,1TMS,isomer #2	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	3166.9	Semi standard non polar	33892256
S-Lactoylglutathione,1TMS,isomer #3	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	3192.1	Semi standard non polar	33892256
S-Lactoylglutathione,1TMS,isomer #4	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O	3279.1	Semi standard non polar	33892256
S-Lactoylglutathione,1TMS,isomer #5	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3140.9	Semi standard non polar	33892256
S-Lactoylglutathione,1TMS,isomer #6	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	3195.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	3161.3	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #10	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	3231.6	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #11	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3096.0	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #12	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3142.7	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3180.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3340.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #15	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	3231.0	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #16	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3108.0	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	3179.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O	3266.9	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3142.3	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	3203.1	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #6	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3128.6	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #7	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	3200.8	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #8	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3077.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TMS,isomer #9	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3129.7	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3130.7	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	3228.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3131.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #12	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3171.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3045.2	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3074.2	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3118.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3290.8	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3165.8	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3087.6	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3142.0	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	3208.4	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #20	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3308.3	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3179.2	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3081.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3141.3	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #24	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3250.3	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #25	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3294.6	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3088.5	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3134.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	3241.5	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3088.7	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3119.4	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3189.8	Semi standard non polar	33892256
S-Lactoylglutathione,3TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3339.0	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3197.4	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3130.2	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4446.0	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3181.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3157.7	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4480.0	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3080.4	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	3156.3	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5135.6	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #12	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3180.9	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #12	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3188.3	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #12	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4458.6	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #13	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3292.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #13	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3223.8	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #13	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4556.3	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #14	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3328.4	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #14	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3216.7	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #14	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4492.7	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3075.2	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3187.3	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4436.2	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3283.3	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3194.0	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	4551.7	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3107.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3170.9	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	4426.4	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3037.6	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3161.0	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4955.8	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3108.9	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3204.6	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4407.6	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3050.8	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3115.5	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5039.1	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #20	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3253.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #20	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3222.8	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #20	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4560.2	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3277.8	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3212.4	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	4485.5	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3128.0	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3214.5	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4515.5	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3246.0	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3269.1	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4578.1	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #24	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3276.5	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #24	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3245.1	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #24	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4548.9	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #25	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3264.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #25	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3291.8	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #25	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4546.3	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3066.5	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3099.5	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	5024.6	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3142.8	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3145.8	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4411.9	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3309.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3160.5	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4513.9	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3178.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3144.0	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4363.3	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3101.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3126.9	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4924.8	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3163.5	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3170.6	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4479.5	Standard polar	33892256
S-Lactoylglutathione,4TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3333.2	Semi standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3199.4	Standard non polar	33892256
S-Lactoylglutathione,4TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4547.6	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3116.1	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3198.6	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3960.7	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3281.0	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3255.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #10	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4123.3	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3324.2	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3292.7	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #11	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4151.2	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #12	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3058.9	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #12	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3240.6	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #12	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4033.2	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3232.0	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3268.2	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4133.7	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3222.1	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3252.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](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	4127.9	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3259.6	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3292.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4157.9	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #16	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3255.5	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #16	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3317.1	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #16	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4208.1	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3299.2	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3206.2	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	4117.9	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3128.9	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3186.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3989.6	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3032.9	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3174.7	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4709.7	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3135.5	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3218.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3973.5	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3297.3	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3231.7	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #6	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4104.5	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3291.4	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3232.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #7	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	4067.4	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3150.1	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3225.4	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #8	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4068.9	Standard polar	33892256
S-Lactoylglutathione,5TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3296.8	Semi standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3267.5	Standard non polar	33892256
S-Lactoylglutathione,5TMS,isomer #9	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4120.9	Standard polar	33892256
S-Lactoylglutathione,6TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3098.6	Semi standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3257.9	Standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3660.1	Standard polar	33892256
S-Lactoylglutathione,6TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3291.9	Semi standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3280.5	Standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #2	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3757.0	Standard polar	33892256
S-Lactoylglutathione,6TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3266.9	Semi standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3266.0	Standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #3	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](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	3770.8	Standard polar	33892256
S-Lactoylglutathione,6TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3312.7	Semi standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3311.8	Standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #4	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3768.0	Standard polar	33892256
S-Lactoylglutathione,6TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3305.6	Semi standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3331.5	Standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #5	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3807.6	Standard polar	33892256
S-Lactoylglutathione,6TMS,isomer #6	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3237.1	Semi standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #6	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3329.1	Standard non polar	33892256
S-Lactoylglutathione,6TMS,isomer #6	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3817.2	Standard polar	33892256
S-Lactoylglutathione,7TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3308.1	Semi standard non polar	33892256
S-Lactoylglutathione,7TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3349.1	Standard non polar	33892256
S-Lactoylglutathione,7TMS,isomer #1	C[C@@H](O[Si](C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3556.7	Standard polar	33892256
S-Lactoylglutathione,1TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	3444.2	Semi standard non polar	33892256
S-Lactoylglutathione,1TBDMS,isomer #2	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3404.0	Semi standard non polar	33892256
S-Lactoylglutathione,1TBDMS,isomer #3	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3442.4	Semi standard non polar	33892256
S-Lactoylglutathione,1TBDMS,isomer #4	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O	3513.9	Semi standard non polar	33892256
S-Lactoylglutathione,1TBDMS,isomer #5	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3421.9	Semi standard non polar	33892256
S-Lactoylglutathione,1TBDMS,isomer #6	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3453.8	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3626.5	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #10	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3698.8	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #11	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3620.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #12	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3626.8	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3687.2	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3801.7	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #15	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3686.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #16	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3593.3	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3667.4	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O	3713.7	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3647.2	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3664.2	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #6	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3622.9	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #7	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3658.5	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #8	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.0	Semi standard non polar	33892256
S-Lactoylglutathione,2TBDMS,isomer #9	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3612.8	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3867.7	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #10	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3918.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #11	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3854.5	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #12	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3891.6	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #13	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3816.4	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #14	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3809.4	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](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	3850.3	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4012.5	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3857.6	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3796.0	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3875.6	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3908.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #20	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4030.4	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3877.7	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3811.4	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3838.3	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #24	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3979.0	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #25	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3971.5	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3850.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3851.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3951.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3868.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #7	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3869.1	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #8	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3918.9	Semi standard non polar	33892256
S-Lactoylglutathione,3TBDMS,isomer #9	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4031.9	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4106.5	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3720.3	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4433.3	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #10	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4126.3	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #10	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3758.0	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #10	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4465.6	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #11	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	4063.8	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #11	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3765.8	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #11	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	4955.3	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #12	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4099.0	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #12	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3766.5	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #12	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4471.9	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #13	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4245.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #13	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3790.2	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #13	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4496.8	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #14	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4232.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #14	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3789.7	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #14	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4478.1	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](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	4042.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](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	3774.5	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #15	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](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	4426.0	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4229.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3785.5	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #16	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4492.7	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	4042.0	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	3773.4	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #17	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](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	4439.0	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3992.2	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3775.6	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #18	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4826.9	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](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	4023.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](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	3783.7	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #19	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](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	4444.2	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4061.5	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.9	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4847.8	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #20	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4209.6	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #20	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3814.4	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #20	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4501.5	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4197.2	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3807.0	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #21	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4480.3	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4053.8	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3806.4	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #22	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4500.5	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4216.4	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3834.1	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #23	C[C@@H](O)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4502.4	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #24	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4203.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #24	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3831.1	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #24	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4504.2	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #25	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4172.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #25	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3852.1	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #25	C[C@@H](O)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4529.3	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4047.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3718.1	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4855.5	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](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	4094.0	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](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	3735.3	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](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	4416.4	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4255.7	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3753.6	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4474.8	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4090.4	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	3735.9	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@H](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	4410.4	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #7	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4052.1	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #7	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3734.5	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #7	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4824.2	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #8	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4127.8	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #8	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3753.6	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #8	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4450.2	Standard polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #9	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4274.9	Semi standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #9	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3769.2	Standard non polar	33892256
S-Lactoylglutathione,4TBDMS,isomer #9	C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4487.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - S-Lactoylglutathione GC-MS (Non-derivatized) - 70eV, Positive	splash10-022d-9025000000-e8442b76e42e68182070	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Lactoylglutathione GC-MS (3 TMS) - 70eV, Positive	splash10-0f8c-6700390000-be9c9075535b7b68d56c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - S-Lactoylglutathione GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , negative-QTOF	splash10-004i-0109000000-a34d20761c4d6bee6ff4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , negative-QTOF	splash10-05dj-0769000000-125dd04c3309557ca71d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , negative-QTOF	splash10-02f1-2930000000-bab00ec3c9a62c353d98	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , negative-QTOF	splash10-004l-2900000000-ed3b919674c5534985e4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , negative-QTOF	splash10-005c-9800000000-c037ad2006918e401b23	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QTOF , negative-QTOF	splash10-004i-1935000000-5775999bbe10e3b4c9db	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , positive-QTOF	splash10-001i-0019000000-99436ad12d519791de4e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , positive-QTOF	splash10-001j-3693000000-a466eff4cff41d7086c7	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , positive-QTOF	splash10-0032-1930000000-18d451bef69e367a6364	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , positive-QTOF	splash10-003s-8900000000-15e831c7f610fbcdf31c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QQ , positive-QTOF	splash10-003r-9300000000-c6405af72f8eaaf2cb11	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-IT , positive-QTOF	splash10-001i-0290000000-ef71ecf2559bf8a8090d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - S-Lactoylglutathione LC-ESI-QTOF , positive-QTOF	splash10-001i-9873000000-760e0e4073de1137832e	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 10V, Positive-QTOF	splash10-01q9-1149000000-62e5724126eead68b1cc	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 20V, Positive-QTOF	splash10-003r-6494000000-e3b7d776638d1bad4552	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 40V, Positive-QTOF	splash10-0fba-3970000000-ead14f990fca59e626ed	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 10V, Negative-QTOF	splash10-0a70-0059000000-93c2a2c66ec470d5e065	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 20V, Negative-QTOF	splash10-00di-5398000000-b0a25646cfd9bdbb68e1	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 40V, Negative-QTOF	splash10-00di-9200000000-d10281b62f65d09c7238	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 10V, Negative-QTOF	splash10-03di-0019000000-738e521a28b7b76a5117	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 20V, Negative-QTOF	splash10-08ml-0960000000-6303aeec8244b3481bcd	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 40V, Negative-QTOF	splash10-002f-4910000000-35e994483e5244ab5642	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 10V, Positive-QTOF	splash10-001i-0019000000-a681d82646af48a3b592	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 20V, Positive-QTOF	splash10-000t-4965000000-c35d5adc9f5c770c3706	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - S-Lactoylglutathione 40V, Positive-QTOF	splash10-03gi-1950000000-cb8ea7b94c227704fc5a	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Mitochondria

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Pyruvate metabolism	Not Available
Pyruvaldehyde Degradation		Not Available
Leigh Syndrome		Not Available
Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency)		Not Available
Pyruvate Dehydrogenase Complex Deficiency		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

S-LACTOYL-GLUTATHIONE

BiGG ID

41876

Wikipedia Link

Not Available

METLIN ID

5979

PubChem Compound

440018

PDB ID

Not Available

ChEBI ID

15694

Food Biomarker Ontology

Not Available

VMH ID

LGT_S

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Liu, Yan; Hama, Hideki; Fujita, Yasuya; Kondo, Akihiko; Inoue, Yoshiharu; Kimura, Akira; Fukuda H. Production of S-lactoylglutathione by high activity whole cell biocatalysts prepared by permeabilization of recombinant Saccharomyces cerevisiae with alcohols. Biotechnol Bioeng. 1999 Jul 5;64(1):54-60.

Material Safety Data Sheet (MSDS)

Not Available

General References

Edwards LG, Adesida A, Thornalley PJ: Inhibition of human leukaemia 60 cell growth by S-D-lactoylglutathione in vitro. Mediation by metabolism to N-D-lactoylcysteine and induction of apoptosis. Leuk Res. 1996 Jan;20(1):17-26. [PubMed:8632674 ]
Thornalley PJ: Advances in glyoxalase research. Glyoxalase expression in malignancy, anti-proliferative effects of methylglyoxal, glyoxalase I inhibitor diesters and S-D-lactoylglutathione, and methylglyoxal-modified protein binding and endocytosis by the advanced glycation endproduct receptor. Crit Rev Oncol Hematol. 1995 Aug;20(1-2):99-128. [PubMed:7576201 ]
Irsch T, Krauth-Siegel RL: Glyoxalase II of African trypanosomes is trypanothione-dependent. J Biol Chem. 2004 May 21;279(21):22209-17. Epub 2004 Feb 19. [PubMed:14976196 ]
Gillespie E: Concanavalin A increases glyoxalase enzyme activities in polymorphonuclear leukocytes and lymphocytes. J Immunol. 1978 Sep;121(3):923-5. [PubMed:690442 ]

Enzymes

Enzyme Details

1. Lactoylglutathione lyase

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

Reactions

S-Lactoylglutathione → Glutathione + Pyruvaldehyde	details

Enzyme Details

2. Hydroxyacylglutathione hydrolase, mitochondrial

General function:: Involved in hydrolase activity
Specific function:: Thiolesterase that catalyzes the hydrolysis of S-D-lactoyl-glutathione to form glutathione and D-lactic acid.
Gene Name:: HAGH
Uniprot ID:: Q16775
Molecular weight:: 28859.855

Reactions

S-Lactoylglutathione + Water → Glutathione + D-Lactic acid	details

Enzyme Details

3. Hydroxyacylglutathione hydrolase-like protein

General function:: Involved in hydrolase activity
Specific function:: Hydrolase acting on ester bonds (Potential).
Gene Name:: HAGHL
Uniprot ID:: Q6PII5
Molecular weight:: Not Available

Reactions

S-Lactoylglutathione + Water → Glutathione + D-Lactic acid	details

Showing metabocard for S-Lactoylglutathione (HMDB0001066)

MOL for HMDB0001066 (S-Lactoylglutathione)

3D MOL for HMDB0001066 (S-Lactoylglutathione)

3D SDF for HMDB0001066 (S-Lactoylglutathione)

3D-SDF for HMDB0001066 (S-Lactoylglutathione)

PDB for HMDB0001066 (S-Lactoylglutathione)

3D PDB for HMDB0001066 (S-Lactoylglutathione)

SMILES for HMDB0001066 (S-Lactoylglutathione)

INCHI for HMDB0001066 (S-Lactoylglutathione)

Structure for HMDB0001066 (S-Lactoylglutathione)

3D Structure for HMDB0001066 (S-Lactoylglutathione)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions