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

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

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ChEBI ID	CHEBI:69223
ChEBI Name	3α-hydroxyolean-11,13(18)-dien-28-oic acid
Stars
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.
Last Modified	2 December 2013
Downloads	Molfile

Formula	C30H46O3
Net Charge	0
Average Mass	454.695
Monoisotopic Mass	454.34470
SMILES	[H][C@]12C=CC3=C4CC(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
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

Species of Metabolite	Component	Source	Comments
Fatsia polycarpa (ncbitaxon:230586)
	leaf (BTO:0000713)	PubMed (21766884)	CH2Cl2 soluble fraction of Methanolic extract of air-dried, powdered leaves and twigs
	twig (BTO:0001411)	PubMed (21766884)	CH2Cl2 soluble fraction of Methanolic extract of air-dried, powdered leaves and twigs

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	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.

ChEBI Ontology

Outgoing Relation(s)
	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 Numbers	Sources
Reaxys:8739750	Reaxys

Citations