CHEBI:82828 - oleanolate

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ChEBI Name oleanolate
ChEBI ID CHEBI:82828
Definition A monocarboxylic acid anion that is the conjugate base of oleanolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
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Formula C30H47O3
Net Charge -1
Average Mass 455.69290
Monoisotopic Mass 455.35307
InChI InChI=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
InChIKey MIJYXULNPSFWEK-GTOFXWBISA-M
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C([O-])=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 oleanolic acid (CHEBI:37659) is conjugate acid of oleanolate (CHEBI:82828)
IUPAC Name
3β-hydroxyolean-12-en-28-oate
Synonym Source
oleanolate UniProt
Manual Xref Database
CPD-9459 MetaCyc
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Last Modified
05 November 2014