CHEBI:132819 - trachelosperogenin B

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ChEBI Name trachelosperogenin B
ChEBI ID CHEBI:132819
Definition A pentacyclic triterpenoid that is urs-12-ene carrying a carboxy substituent at position 28 as well as five hydroxy substituents at positions 2, 3, 19, 23 and 24 (the 2α,3β stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H48O7
Net Charge 0
Average Mass 520.699
Monoisotopic Mass 520.34000
InChI InChI=1S/C30H48O7/c1-17-8-11-29(24(35)36)13-12-26(3)18(22(29)28(17,5)37)6-7-20-25(2)14-19(33)23(34)30(15-31,16-32)21(25)9-10-27(20,26)4/h6,17,19-23,31-34,37H,7-16H2,1-5H3,(H,35,36)/t17-,19-,20-,21-,22-,23+,25-,26-,27-,28-,29+/m1/s1
InChIKey RIFJXBJHRYLRKR-YTOUHQNPSA-N
SMILES O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@H]([C@]5(O)C)C)C(O)=O)[H])=CC3)C)(CC2)C)[H])(C[C@H]1O)C)[H])(CO)CO
Metabolite of Species Details
Rudgea viburnioides (NCBI:txid1525326) Found in ripe fruit (PO:0007038). See: PubMed
Vochysia (NCBI:txid39994) See: PubMed
Poraqueiba (NCBI:txid597259) Found in stem (BTO:0001300). 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 trachelosperogenin B (CHEBI:132819) has parent hydride ursane (CHEBI:35711)
trachelosperogenin B (CHEBI:132819) has role plant metabolite (CHEBI:76924)
trachelosperogenin B (CHEBI:132819) is a hydroxy monocarboxylic acid (CHEBI:35868)
trachelosperogenin B (CHEBI:132819) is a pentacyclic triterpenoid (CHEBI:25872)
trachelosperogenin B (CHEBI:132819) is a pentol (CHEBI:37205)
IUPAC Name
2α,3β,19,23,24-pentahydroxyurs-12-en-28-oic acid
Synonym Source
(2α,3β)-2,3,19,23,24-pentahydroxyurs-12-en-28-oic acid IUPAC
Manual Xref Database
23259303 PubChem
View more database links
Registry Number Type Source
6019862 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15798995 PubMed citation Europe PMC
27736194 PubMed citation Europe PMC
9677278 PubMed citation Europe PMC
Last Modified
23 January 2017