EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220552 - Ganoderic acid Jd

ChEBI IDCHEBI:220552
ChEBI NameGanoderic acid Jd
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILESC[C@H](CCC(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C27H40O4/c1-16(7-10-23(30)31)19-15-22(29)27(6)18-8-9-20-24(2,3)21(28)12-13-25(20,4)17(18)11-14-26(19,27)5/h8,11,16,19-20,22,29H,7,9-10,12-15H2,1-6H3,(H,30,31)/t16-,19-,20?,22+,25-,26-,27-/m1/s1
InChIKeyPWADAHTZZKLCAK-XRNZNSMASA-N
Species of MetaboliteComponentSourceComments
Ganoderma sinense (ncbitaxon:36075) - PubMed (22161763)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid Jd (CHEBI:220552) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
78441181ChemSpider