CHEBI:132616 - triptotriterpenic acid B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triptotriterpenic acid B
ChEBI ID CHEBI:132616
Definition A pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C30H48O4
Net Charge 0
Average Mass 472.701
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,26+,27+,28-,29+,30+/m0/s1
InChIKey JTBGJQZJEYVBJZ-UZUOTXETSA-N
SMILES C1[C@H](O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@]4(C[C@](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 hypoglaucum (NCBI:txid205465) See: PubMed
Abrus precatorius (NCBI:txid3816) Found in stem (BTO:0001300). See: PubMed
Abrus precatorius (NCBI:txid3816) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing triptotriterpenic acid B (CHEBI:132616) has parent hydride oleanane (CHEBI:36481)
triptotriterpenic acid B (CHEBI:132616) has role plant metabolite (CHEBI:76924)
triptotriterpenic acid B (CHEBI:132616) is a diol (CHEBI:23824)
triptotriterpenic acid B (CHEBI:132616) is a hydroxy monocarboxylic acid (CHEBI:35868)
triptotriterpenic acid B (CHEBI:132616) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3β,22β)-3,22-dihydroxyolean-12-en-30-oic acid
Synonym Source
3β,22β-dihydroxyolean-12-en-30-oic acid ChemIDplus
Manual Xref Database
195563 PubChem
View more database links
Registry Number Type Source
5857674 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22210168 PubMed citation Europe PMC
2534610 PubMed citation Europe PMC
Last Modified
24 October 2016