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CHEBI:131718 - S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1−)

ChEBI IDCHEBI:131718
ChEBI NameS-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1−)
Stars
ASCII NameS-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1-)
DefinitionAn S-substituted glutathione(1−) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of S-(1-hydroxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3.
Last Modified5 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24N3O7S
Net Charge-1
Average Mass390.438
Monoisotopic Mass390.13404
SMILESC=CC(C)(CO)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]
InChIInChI=1S/C15H25N3O7S/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/h3,9-10,19H,1,4-8,16H2,2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/p-1/t9-,10-,15?/m0/s1
InChIKeyLOAQFXHGDMJPJC-WUAMPTBBSA-M
ChEBI Ontology
Outgoing Relation(s)
S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1−) (CHEBI:131718) is a S-substituted glutathione(1−) (CHEBI:90779)
S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1−) (CHEBI:131718) is conjugate base of S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132066)
Incoming Relation(s)
S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132066) is conjugate acid of S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1−) (CHEBI:131718)
IUPAC Name 
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(1-hydroxy-2-methylbut-3-en-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
Synonym  Source
4-hydroxy-3-glutathionyl-3-methylbut-1-ene(1−)ChEBI
UniProt Name  Source
2-glutathionyl-2-methylbut-3-en-1-olUniProt
Manual XrefsDatabases
CPD-19029MetaCyc
Citations