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CHEBI:82828 - oleanolate

ChEBI IDCHEBI:82828
ChEBI Nameoleanolate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of oleanolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified5 November 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H47O3
Net Charge-1
Average Mass455.703
Monoisotopic Mass455.35307
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(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/p-1/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKeyMIJYXULNPSFWEK-GTOFXWBISA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
oleanolate (CHEBI:82828) has role plant metabolite (CHEBI:76924)
oleanolate (CHEBI:82828) is a monocarboxylic acid anion (CHEBI:35757)
oleanolate (CHEBI:82828) is conjugate base of oleanolic acid (CHEBI:37659)
Incoming Relation(s)
oleanolic acid (CHEBI:37659) is conjugate acid of oleanolate (CHEBI:82828)
IUPAC Name 
3β-hydroxyolean-12-en-28-oate
UniProt Name  Source
oleanolateUniProt
Manual XrefsDatabases
CPD-9459MetaCyc
Citations