CHEBI:73086 - protobassic acid

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ChEBI Name protobassic acid
ChEBI ID CHEBI:73086
Definition A pentacyclic triterpenoid that is oleanolic acid substituted by hydroxy groups at positions 2, 6 and 23.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H48O6
Net Charge 0
Average Mass 504.69850
Monoisotopic Mass 504.345
InChI InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20-,21+,22+,23-,26+,27-,28+,29+,30-/m0/s1
InChIKey IDQVFXZQPGAVAM-YPRSBIJBSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])[C@H](O)C[C@@]12C)C(O)=O
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): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing protobassic acid (CHEBI:73086) has functional parent oleanolic acid (CHEBI:37659)
protobassic acid (CHEBI:73086) has parent hydride oleanane (CHEBI:36481)
protobassic acid (CHEBI:73086) has role antifungal agent (CHEBI:35718)
protobassic acid (CHEBI:73086) has role metabolite (CHEBI:25212)
protobassic acid (CHEBI:73086) is a monocarboxylic acid (CHEBI:25384)
protobassic acid (CHEBI:73086) is a pentacyclic triterpenoid (CHEBI:25872)
protobassic acid (CHEBI:73086) is a tetrol (CHEBI:33573)
Incoming madhucoside A (CHEBI:66652) has functional parent protobassic acid (CHEBI:73086)
madhucoside B (CHEBI:66653) has functional parent protobassic acid (CHEBI:73086)
IUPAC Name
(2β,3β,6β)-2,3,6,23-tetrahydroxyolean-12-en-28-oic acid
Database Link Database
HMDB0034500 HMDB
View more database links
Registry Numbers Types Sources
37905-13-8 CAS Registry Number ChemIDplus
5913850 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14559279 PubMed citation Europe PMC
20603877 PubMed citation Europe PMC
Last Modified
03 April 2013