CHEBI:67953 - 3β-hydroxyurs-20-en-28-oic acid

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ChEBI Name 3β-hydroxyurs-20-en-28-oic acid
ChEBI ID CHEBI:67953
ChEBI ASCII Name 3beta-hydroxyurs-20-en-28-oic acid
Definition A pentacyclic triterpenoid that is urs-20-ene substituted by a carboxy group at position 28 and a β-hydroxy group at position 3. It has been isolated from Juglans sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O3
Net Charge 0
Average Mass 456.70030
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h10,19-24,31H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey HNJKFVJZKCXLRL-XNWPAUOFSA-N
SMILES C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC=C1C)C(O)=O
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β-hydroxyurs-20-en-28-oic acid (CHEBI:67953) has parent hydride ursane (CHEBI:35711)
3β-hydroxyurs-20-en-28-oic acid (CHEBI:67953) has role plant metabolite (CHEBI:76924)
3β-hydroxyurs-20-en-28-oic acid (CHEBI:67953) is a hydroxy monocarboxylic acid (CHEBI:35868)
3β-hydroxyurs-20-en-28-oic acid (CHEBI:67953) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
3β-hydroxyurs-20-en-28-oic acid
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
20 January 2014