RefMet Compound Details

MW structure37583 (View MW Metabolite Database details)
RefMet nameS-Lactoylglutathione
Systematic name(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-2-hydroxypropanoyl]sulfanyl}ethyl]carbamoyl}butanoic acid
SMILESC[C@H](C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass379.104939 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC13H21N3O8SView other entries in RefMet with this formula
InChIInChI=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
InChIKeyVDYDCVUWILIYQF-CSMHCCOUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID440018
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving S-Lactoylglutathione

Rxn IDKEGG ReactionEnzyme
R01736 (R)-S-Lactoylglutathione + H2O <=> Glutathione + (R)-Lactate(R)-S-Lactoylglutathione hydrolase
R02530 (R)-S-Lactoylglutathione <=> Glutathione + Methylglyoxal(R)-S-Lactoylglutathione methylglyoxal-lyase (isomerizing)

Table of KEGG human pathways containing S-Lactoylglutathione

Pathway IDHuman Pathway# of reactions
hsa00620 Pyruvate metabolism 2
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