CHEBI:132373 - mesembryanthemoidigenic acid

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ChEBI Name mesembryanthemoidigenic acid
ChEBI ID CHEBI:132373
Definition A pentacyclic triterpenoid with formula C30H48O4, originally isolated from Akebia quinata and Stauntonia hexaphylla.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.701
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
InChIKey CZWBKSDPBWNHGO-DPJNYECVSA-N
SMILES [C@@]12(C([C@@]3(C[C@@](CO)(C)CC[C@@]3(CC1)C(=O)O)[H])=CC[C@@]4([C@]5(CC[C@@H](C([C@@]5(CC[C@@]24C)[H])(C)C)O)C)[H])C
Metabolite of Species Details
Akebia quinata (NCBI:txid13331) See: Journal of Natural Products, 52, (1989), 623
Akebia trifoliata (NCBI:txid155132) Found in pericarp (BTO:0001017). See: PubMed
Stauntonia hexaphylla (NCBI:txid41788) See: Journal of Natural Products, 52, (1989), 623
Hebanthe paniculata (NCBI:txid451948) Found in root (BTO:0001188). See: PubMed
Eleutherococcus senticosus (NCBI:txid82096) Found in leaf (BTO:0000713). 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.
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ChEBI Ontology
Outgoing mesembryanthemoidigenic acid (CHEBI:132373) has parent hydride oleanane (CHEBI:36481)
mesembryanthemoidigenic acid (CHEBI:132373) has role plant metabolite (CHEBI:76924)
mesembryanthemoidigenic acid (CHEBI:132373) is a diol (CHEBI:23824)
mesembryanthemoidigenic acid (CHEBI:132373) is a hydroxy monocarboxylic acid (CHEBI:35868)
mesembryanthemoidigenic acid (CHEBI:132373) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3β)-3,29-dihydroxyolean-12-en-28-oic acid
Synonyms Sources
3β,29-dihydroxyolean-12-en-28-oic acid ChEBI
3beta,29-Dihydroxyolean-12-en-28-oic acid ChemIDplus
AC1O54QP SUBMITTER
Manual Xref Database
C00051540 KNApSAcK
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Registry Numbers Types Sources
4871-87-8 CAS Registry Number ChemIDplus
5648330 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17125224 PubMed citation Europe PMC
19941264 PubMed citation Europe PMC
25172756 PubMed citation Europe PMC
Last Modified
25 October 2016