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CHEBI:132122 - S-(2-methyl-1-oxobut-3-en-2-yl)glutathione

ChEBI IDCHEBI:132122
ChEBI NameS-(2-methyl-1-oxobut-3-en-2-yl)glutathione
Stars
ASCII NameS-(2-methyl-1-oxobut-3-en-2-yl)glutathione
DefinitionA glutathione derivative in which the thiol hydrogen of glutathione is replaced by a 2-methyl-1-oxobut-3-en-2-yl group.
Last Modified2 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H23N3O7S
Net Charge0
Average Mass389.430
Monoisotopic Mass389.12567
SMILES[H]C(=O)C(C)(C=C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
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)/t9-,10-,15?/m0/s1
InChIKeyKTSZDHMDBQVCIB-WUAMPTBBSA-N
ChEBI Ontology
Outgoing Relation(s)
S-(2-methyl-1-oxobut-3-en-2-yl)glutathione (CHEBI:132122) is a glutathione derivative (CHEBI:24337)
S-(2-methyl-1-oxobut-3-en-2-yl)glutathione (CHEBI:132122) is conjugate acid of S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1−) (CHEBI:131798)
Incoming Relation(s)
S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1−) (CHEBI:131798) is conjugate base of S-(2-methyl-1-oxobut-3-en-2-yl)glutathione (CHEBI:132122)
IUPAC Name 
L-γ-glutamyl-S-(2-methyl-1-oxobut-3-en-2-yl)-L-cysteinylglycine
Synonyms  Source
2-glutathionyl-2-methylbut-3-enalMetaCyc
S-(2-formyl-2-methylbut-3-en-2-yl)glutathioneChEBI
Manual XrefsDatabases
CPD-19031MetaCyc
Citations