CHEBI:70003 - combretic acid B

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ChEBI Name combretic acid B
ChEBI ID CHEBI:70003
Definition A pentacyclic triterpenoid that is 9β,19-cyclolanost-25-en-28-oic acid substituted by an acetyloxy group at position 7 and hydroxy groups at positions 3 and 24. It has been isolated from the leaves of Combretum quadrangulare.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H50O6
Net Charge 0
Average Mass 530.73580
Monoisotopic Mass 530.36074
InChI InChI=1S/C32H50O6/c1-18(2)22(34)9-8-19(3)21-10-12-29(6)26-23(38-20(4)33)16-24-30(7,27(36)37)25(35)11-13-31(24)17-32(26,31)15-14-28(21,29)5/h19,21-26,34-35H,1,8-17H2,2-7H3,(H,36,37)/t19-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1
InChIKey PYMOVAUYBLDWHR-OFMKDZFSSA-N
SMILES C[C@H](CC[C@H](O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@H](C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O)OC(C)=O
Metabolite of Species Details
Combretum quadrangulare (IPNI:170410-1) Found in leaf (BTO:0000713). Methanolic extract of 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 combretic acid B (CHEBI:70003) has parent hydride cycloartane (CHEBI:37778)
combretic acid B (CHEBI:70003) has role metabolite (CHEBI:25212)
combretic acid B (CHEBI:70003) has role plant metabolite (CHEBI:76924)
combretic acid B (CHEBI:70003) is a acetate ester (CHEBI:47622)
combretic acid B (CHEBI:70003) is a hydroxy monocarboxylic acid (CHEBI:35868)
combretic acid B (CHEBI:70003) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
rel-(24S)-7β-(acetyloxy)-3,24-dihydroxy-9β,19-cyclolanost-25-en-28-oic acid
Registry Number Type Source
21312863 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265555 PubMed citation Europe PMC
Last Modified
06 January 2014