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(R)-S-lactoylglutathione

PropertiesImage
MNX_IDMNXM1093274 Image of MNXM1093274
referencechebi:57474
formulaC13H20N3O8S
global charge-1
mol weight378.383
InChIKeyVDYDCVUWILIYQF-CSMHCCOUSA-M
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)/p-1/t6-,7+,8+/m1/s1
SMILESC[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1093274
SMILES (mnx)[CH3:1][C@H:6]([C:13](=[O:24])[S:25][CH2:5][C@@H:8]([C:11](=[N:15][CH2:4][C:10](=[O:19])[OH:20])[OH:21])[N:16]=[C:9]([CH2:3][CH2:2][C@@H:7]([C:12](=[O:22])[OH:23])[NH2:14])[OH:18])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5694130
reactomeM:R-ALL-5694130
CHEBI:57474
chebi:57474
VDYDCVUWILIYQF-CSMHCCOUSA-M 		(R)-S-lactoylglutathione
(R)-S-lactoylglutathionate anion
(R)-S-lactoylglutathionate(1-)
S-[(2R)-2-hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycinate

bigg.metabolite:lgt__S
biggM:lgt__S
bigg.metabolite:lgt_s
biggM:lgt_s
sabiork.compound:3008
sabiorkM:3008
VDYDCVUWILIYQF-CSMHCCOUSA-M
VDYDCVUWILIYQF-CSMHCCOUSA-N 		(R)-S-Lactoylglutathione

seed.compound:cpd02182
seedM:cpd02182
VDYDCVUWILIYQF-CSMHCCOUSA-M 		(R)-S-Lactoylglutathione
(R)-S-lactoylglutathione
D-lactoylglutathione
S-D-Lactoylglutathione
S-D-lactoylglutathione
S-lactoyl-glutathione
lgt-S

kegg.compound:C03451
keggC:C03451
VDYDCVUWILIYQF-CSMHCCOUSA-N 		(R)-S-Lactoylglutathione
S-D-Lactoylglutathione

vmhM:lgt_S
vmhmetabolite:lgt_S
VDYDCVUWILIYQF-CSMHCCOUSA-M 		(R)-S-lactoylglutathionate(1-)
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-2-hydroxypropanoyl]sulfanyl}ethyl]carbamoyl}butanoic acid
hmdb:HMDB0062624
VDYDCVUWILIYQF-CSMHCCOUSA-N 		(R)-S-lactoylglutathionate(1-)
(R)-S-Lactoylglutathionate anion
(R)-S-Lactoylglutathione
(R)-S-Lactoylglutathionic acid anion
(R)-S-Lactoylglutathionic acid(1-)
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoate
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoate
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-amino-4-{[1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(2-hydroxypropanoyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

CHEBI:15694
chebi:15694
VDYDCVUWILIYQF-CSMHCCOUSA-N 		(R)-S-lactoylglutathione
(R)-S-Lactoylglutathione
S-D-Lactoylglutathione
S-[(2R)-2-hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycine
S-lactoylglutathione

metacyc.compound:S-LACTOYL-GLUTATHIONE
metacycM:S-LACTOYL-GLUTATHIONE
VDYDCVUWILIYQF-CSMHCCOUSA-M 		(R)-S-lactoylglutathione
D-lactoylglutathione
S-D-lactoylglutathione

sabiork.compound:24624
sabiorkM:24624
VDYDCVUWILIYQF-CSMHCCOUSA-N 		S-Lactoylglutathione
hmdb:HMDB0001066
VDYDCVUWILIYQF-CSMHCCOUSA-N 		S-Lactoylglutathione
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-2-hydroxypropanoyl]sulfanyl}ethyl]carbamoyl}butanoic acid
(R)-S-Lactoylglutathione
D-Lactoylglutathione
N-(N-L-gamma-Glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl)-glycine
S-D-Lactoyl-glutathione
S-D-Lactoylglutathione
S-Lactate glutathione
S-Lactateglutathione
S-Lactoyl-glutathione
S-Lactylglutathione
S-[(2R)-2-Hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycine
S-delta-Lactoyl-glutathione
S-delta-Lactoylglutathione
S-lactoylglutathione
delta-Lactoylglutathione

hmdb:HMDB01066
hmdb:HMDB62624
chebi:11014
chebi:18678
chebi:355
biggM:M_lgt__S
biggM:M_lgt_s
keggC:M_C03451
seedM:M_cpd02182
vmhM:M_lgt_S 		secondary/obsolete/fantasy identifier