CHEBI:132617 - triptotriterpenic acid C

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ChEBI Name triptotriterpenic acid C
ChEBI ID CHEBI:132617
Definition A pentacyclic triterpenoid with formula C30H48O4, originally isolated from the roots of Tripterygium wilfordii.
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/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23-,24-,27-,28-,29+,30+/m0/s1
InChIKey IWVWTVWLRSUYNC-YLOASUEESA-N
SMILES C1[C@H](O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@]4([C@H]([C@@H](C[C@@H]5O)C(O)=O)C)[H])C)C)([C@]2(C1)C)[H])C)[H])(C)C
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) Found in root (BTO:0001188). 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 triptotriterpenic acid C (CHEBI:132617) has parent hydride ursane (CHEBI:35711)
triptotriterpenic acid C (CHEBI:132617) has role plant metabolite (CHEBI:76924)
triptotriterpenic acid C (CHEBI:132617) is a diol (CHEBI:23824)
triptotriterpenic acid C (CHEBI:132617) is a hydroxy monocarboxylic acid (CHEBI:35868)
triptotriterpenic acid C (CHEBI:132617) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3β,22α)-3,22-dihydroxyurs-12-en-30-oic acid
Synonyms Sources
3β,22α-dihydroxyurs-12-en-30-oic acid ChEBI
tripterygic acid A ChEBI
Manual Xref Database
130072 PubChem
View more database links
Registry Number Type Source
9826132 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17221378 PubMed citation Europe PMC
2816380 PubMed citation Europe PMC
Last Modified
25 October 2016