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CHEBI:58067 - (3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1−)

ChEBI IDCHEBI:58067
ChEBI Name(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1−)
Stars
ASCII Name(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-)
DefinitionConjugate base of (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione arising from deprotonation of the enolic hydroxy group; major species at pH 7.3.
Last Modified28 January 2015
DownloadsMolfile
FormulaC20H21N2O3
Net Charge-1
Average Mass337.399
Monoisotopic Mass337.15577
SMILES[H][C@@]1(Cc2cnc3cccc(CC=C(C)C)c23)NC(=O)/C(=C(/C)[O-])C1=O
InChIInChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,23H,8-9H2,1-3H3,(H,22,25)/p-1/b17-12-/t16-/m0/s1
InChIKeyHLDTVPRYVAHRIQ-BQGMYUGNSA-M
ChEBI Ontology
Outgoing Relation(s)
(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1−) (CHEBI:58067) is a organic anion (CHEBI:25696)
(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1−) (CHEBI:58067) is conjugate base of (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione (CHEBI:17233)
Incoming Relation(s)
(3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione (CHEBI:17233) is conjugate acid of (3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1−) (CHEBI:58067)
IUPAC Name 
(1Z)-1-[(5S)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2,4-dioxopyrrolidin-3-ylidene]ethanolate
UniProt Name  Source
β-cyclopiazonateUniProt