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2-glutathionyl-2-methylbut-3-enal

PropertiesImage
MNX_IDMNXM162518 Image of MNXM162518
referencechebi:131798
formulaC15H22N3O7S
global charge-1
mol weight388.422
InChIKeyKTSZDHMDBQVCIB-WUAMPTBBSA-M
InChIInChI=1S/C15H23N3O7S/c1-3-15(2,8-19)26-7-10(13(23)17-6-12(21)22)18-11(20)5-4-9(16)14(24)25/h3,8-10H,1,4-7,16H2,2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/p-1/t9-,10-,15?/m0/s1
SMILESC=CC(C)(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/C15H23N3O7S/c1-3-15(2,8-19)26-7-10(13(23)17-6-12(21)22)18-11(20)5-4-9(16)14(24)25/h3,8-10H,1,4-7,16H2,2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/t9-,10-,15?/m0/s1 Image of MNXM162518
SMILES (mnx)[CH2:1]=[CH:3][C:15]([CH3:2])([CH:8]=[O:19])[S:26][CH2:7][C@@H:10]([C:13](=[N:17][CH2:6][C:12](=[O:21])[OH:22])[OH:23])[N:18]=[C:11]([CH2:5][CH2:4][C@@H:9]([C:14](=[O:24])[OH:25])[NH2:16])[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131798
chebi:131798
KTSZDHMDBQVCIB-WUAMPTBBSA-M 		2-glutathionyl-2-methylbut-3-enal
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2-methyl-1-oxobut-3-en-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
S-(2-formyl-2-methylbut-3-en-2-yl)glutathione(1-)
S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1-)

metacyc.compound:CPD-19031
metacycM:CPD-19031
seed.compound:cpd33597
seedM:cpd33597
KTSZDHMDBQVCIB-WUAMPTBBSA-M 		2-(glutathion-S-yl)-2-methylbut-3-enal
2-glutathionyl-2-methylbut-3-enal

CHEBI:132122
chebi:132122
KTSZDHMDBQVCIB-WUAMPTBBSA-N 		S-(2-methyl-1-oxobut-3-en-2-yl)glutathione
2-glutathionyl-2-methylbut-3-enal
L-gamma-glutamyl-S-(2-methyl-1-oxobut-3-en-2-yl)-L-cysteinylglycine
S-(2-formyl-2-methylbut-3-en-2-yl)glutathione

seedM:M_cpd33597 		secondary/obsolete/fantasy identifier