MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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S-(2-hydroxyethyl)glutathione

	Properties	Image
MNX_ID	MNXM5922
reference	chebi:35896
formula	C₁₂H₂₁N₃O₇S
global charge	0
mol weight	351.381
InChIKey	UUZCUSQQEJSIHR-YUMQZZPRSA-N
InChI	InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
SMILES	N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][C:9](=[N:15][C@@H:8]([CH2:6][S:23][CH2:4][CH2:3][OH:16])[C:11](=[N:14][CH2:5][C:10](=[O:18])[OH:19])[OH:20])[OH:17])[C@@H:7]([C:12](=[O:21])[OH:22])[NH2:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-158541 reactomeM:R-ALL-158541 CHEBI:35896 chebi:35896 UUZCUSQQEJSIHR-YUMQZZPRSA-N	S-(2-hydroxyethyl)glutathione L-gamma-glutamyl-S-(2-hydroxyethyl)-L-cysteinylglycine S-(2-Hydroxyethyl)glutathione S-(2-Hydroxyethyl)gsh
seed.compound:cpd10572 seedM:cpd10572 kegg.compound:C14875 keggC:C14875 UUZCUSQQEJSIHR-YUMQZZPRSA-M UUZCUSQQEJSIHR-YUMQZZPRSA-N	S-(2-Hydroxyethyl)glutathione
hmdb:HMDB0062525 UUZCUSQQEJSIHR-YUMQZZPRSA-N	S-(2-Hydroxyethyl)glutathione (2S)-2-amino-4-{[(1R)-1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(2-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid S-(2-Hydroxyethyl)GSH
vmhM:M02855 vmhmetabolite:M02855 UUZCUSQQEJSIHR-YUMQZZPRSA-L	S-(2-Hydroxyethyl)glutathione (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
hmdb:HMDB62525 chebi:32642 chebi:34961 chebi:53433 keggC:M_C14875 seedM:M_cpd10572 vmhM:M_M02855	secondary/obsolete/fantasy identifier