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CHEBI:140467 - gypsogenin(1−)

ChEBI IDCHEBI:140467
ChEBI Namegypsogenin(1−)
Stars
ASCII Namegypsogenin(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of gypsogenin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 April 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H45O4
Net Charge-1
Average Mass469.686
Monoisotopic Mass469.33233
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C=O
InChIInChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKeyQMHCWDVPABYZMC-MYPRUECHSA-M
ChEBI Ontology
Outgoing Relation(s)
gypsogenin(1−) (CHEBI:140467) is a monocarboxylic acid anion (CHEBI:35757)
gypsogenin(1−) (CHEBI:140467) is conjugate base of gypsogenin (CHEBI:5580)
Incoming Relation(s)
gypsogenin (CHEBI:5580) is conjugate acid of gypsogenin(1−) (CHEBI:140467)
IUPAC Name 
3β-hydroxy-23-oxoolean-12-en-28-oate
Synonym  Source
(3β)-3-hydroxy-23-oxoolean-12-en-28-oateIUPAC
UniProt Name  Source
gypsogeninUniProt
Manual XrefsDatabases
CPD-9470MetaCyc