CHEBI:69223 - 3α-hydroxyolean-11,13(18)-dien-28-oic acid

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ChEBI Name 3α-hydroxyolean-11,13(18)-dien-28-oic acid
ChEBI ID CHEBI:69223
ChEBI ASCII Name 3alpha-hydroxyolean-11,13(18)-dien-28-oic acid
Definition A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by an α-hydroxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H46O3
Net Charge 0
Average Mass 454.68440
Monoisotopic Mass 454.34470
InChI InChI=1S/C30H46O3/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/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21-,22+,23+,27-,28+,29+,30-/m0/s1
InChIKey XMOMYSSKYVFTKO-LNVXMQETSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
Metabolite of Species Details
Fatsia polycarpa (NCBI:txid230586) Found in leaf (BTO:0000713). CH2Cl2 soluble fraction of Methanolic extract of air-dried, powdered leaves and twigs See: PubMed
Fatsia polycarpa (NCBI:txid230586) Found in twig (BTO:0001411). CH2Cl2 soluble fraction of Methanolic extract of air-dried, powdered leaves and twigs See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) has parent hydride oleanane (CHEBI:36481)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) has role metabolite (CHEBI:25212)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) has role plant metabolite (CHEBI:76924)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) is a hydroxy monocarboxylic acid (CHEBI:35868)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3α)-3-hydroxyoleana-11,13(18)-dien-28-oic acid
Registry Number Type Source
8739750 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21766884 PubMed citation Europe PMC
Last Modified
02 December 2013