CHEBI:132851 - roburic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name roburic acid
Definition A tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C30H48O2
Net Charge 0
Average Mass 440.702
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
SMILES OC(=O)CC[C@@]1([C@@]2([C@]([C@]3(C([C@]4([C@@](CC3)(CC[C@H]([C@@H]4C)C)C)[H])=CC2)C)(CC[C@H]1C(C)=C)C)[H])C
Metabolite of Species Details
Gentiana dahurica (NCBI:txid225203) Found in root (BTO:0001188). See: PubMed
Gentiana macrophylla (NCBI:txid50765) 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 roburic acid (CHEBI:132851) has role plant metabolite (CHEBI:76924)
roburic acid (CHEBI:132851) is a monocarboxylic acid (CHEBI:25384)
roburic acid (CHEBI:132851) is a olefinic compound (CHEBI:78840)
roburic acid (CHEBI:132851) is a tetracyclic triterpenoid (CHEBI:26893)
3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl]propanoic acid
Registry Number Type Source
2488188 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16335823 PubMed citation Europe PMC
20188172 PubMed citation Europe PMC
22233034 PubMed citation Europe PMC
24844534 PubMed citation Europe PMC
Last Modified
30 January 2017