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2-glutathionyl-2-methylbut-3-enoate

PropertiesImage
MNX_IDMNXM162492 Image of MNXM162492
referencechebi:131797
formulaC15H21N3O8S
global charge-2
mol weight403.413
InChIKeyGPWMCZLMCJWORL-KZGJKODISA-L
InChIInChI=1S/C15H23N3O8S/c1-3-15(2,14(25)26)27-7-9(12(22)17-6-11(20)21)18-10(19)5-4-8(16)13(23)24/h3,8-9H,1,4-7,16H2,2H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H,25,26)/p-2/t8-,9-,15?/m0/s1
SMILESC=CC(C)(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H23N3O8S/c1-3-15(2,14(25)26)27-7-9(12(22)17-6-11(20)21)18-10(19)5-4-8(16)13(23)24/h3,8-9H,1,4-7,16H2,2H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H,25,26)/t8-,9-,15?/m0/s1 Image of MNXM162492
SMILES (mnx)[CH2:1]=[CH:3][C:15]([CH3:2])([C:14](=[O:25])[OH:26])[S:27][CH2:7][C@@H:9]([C:12](=[N:17][CH2:6][C:11](=[O:20])[OH:21])[OH:22])[N:18]=[C:10]([CH2:5][CH2:4][C@@H:8]([C:13](=[O:23])[OH:24])[NH2:16])[OH:19]
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
IdentifierDescription

CHEBI:131797
chebi:131797
GPWMCZLMCJWORL-KZGJKODISA-L 		2-glutathionyl-2-methylbut-3-enoate
(2S)-2-azaniumyl-5-({(2R)-3-[(2-carboxylatobut-3-en-2-yl)sulfanyl]-1-[(carboxylatomethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoate
S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2-)

metacyc.compound:CPD-19032
metacycM:CPD-19032
seed.compound:cpd33738
seedM:cpd33738
GPWMCZLMCJWORL-KZGJKODISA-L 		2-(glutathion-S-yl)-2-methylbut-3-enoate
2-glutathionyl-2-methylbut-3-enoate

CHEBI:132118
chebi:132118
GPWMCZLMCJWORL-KZGJKODISA-N 		S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione
2-glutathionyl-2-methylbut-3-enoic acid
L-gamma-glutamyl-S-(2-carboxybut-3-en-2-yl)-L-cysteinylglycine

seedM:M_cpd33738 		secondary/obsolete/fantasy identifier