CHEBI:67912 - rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid

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ChEBI Name rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid
ChEBI ID CHEBI:67912
ChEBI ASCII Name rel-2alpha,3alpha,19alpha,23-tetrahydroxyolean-12-en-28-oic acid
Definition A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3, 19 and 23 respectively. It has been isolated from the leaves of Rosa laevigata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H48O6
Net Charge 0
Average Mass 504.69850
Monoisotopic Mass 504.34509
InChI InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27+,28-,29-,30+/m1/s1
InChIKey IFIQVSCCFRXSJV-OUKLVGNVSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
Metabolite of Species Details
Rosa laevigata (NCBI:txid74652) Found in leaf (BTO:0000713). 70% EtOH extract of dried leaves 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 rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) has parent hydride oleanane (CHEBI:36481)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) has role plant metabolite (CHEBI:76924)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) is a hydroxy monocarboxylic acid (CHEBI:35868)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) is a pentacyclic triterpenoid (CHEBI:25872)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) is a tetrol (CHEBI:33573)
IUPAC Name
rel-(2α,3α,19α)-2,3,19,23-tetrahydroxyolean-12-en-28-oic acid
Citation Waiting for Citations Type Source
21384845 PubMed citation Europe PMC
Last Modified
27 May 2015