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CHEBI:133880 - S-(4-oxobutan-2-yl)glutathione

ChEBI IDCHEBI:133880
ChEBI NameS-(4-oxobutan-2-yl)glutathione
Stars
ASCII NameS-(4-oxobutan-2-yl)glutathione
DefinitionA glutathione conjugate that is the product of a glutathione conjugate addition reaction with crotonaldehyde.
Last Modified20 July 2018
Submittergemma
DownloadsMolfile
FormulaC14H23N3O7S
Net Charge0
Average Mass377.419
Monoisotopic Mass377.12567
SMILES[H]C(=O)CC(C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C14H23N3O7S/c1-8(4-5-18)25-7-10(13(22)16-6-12(20)21)17-11(19)3-2-9(15)14(23)24/h5,8-10H,2-4,6-7,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8?,9-,10-/m0/s1
InChIKeyKEQTTYRWDJQWAB-AGROOBSYSA-N
ChEBI Ontology
Outgoing Relation(s)
S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) has functional parent crotonaldehyde (CHEBI:41607)
S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a S-substituted glutathione (CHEBI:17021)
S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a aldehyde (CHEBI:17478)
S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a glutathione conjugate (CHEBI:24335)
S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a organic sulfide (CHEBI:16385)
IUPAC Names 
L-γ-glutamyl-S-(4-oxobutan-2-yl)-L-cysteinylglycine
glutathione-crotonaldehyde conjugate
Synonym  Source
butanalglutathioneChEBI
Registry NumbersSources
Reaxys:6087321Reaxys
Citations