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CHEBI:212501 - 4,4,14alpha-trimethyl-3,7-dioxo-5alpha-chol-8-en-24-oic acid

Default Structure
ChEBI IDCHEBI:212501
ChEBI Name4,4,14alpha-trimethyl-3,7-dioxo-5alpha-chol-8-en-24-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C27H40O4/c1-16(7-8-22(30)31)17-9-14-27(6)23-18(10-13-26(17,27)5)25(4)12-11-21(29)24(2,3)20(25)15-19(23)28/h16-17,20H,7-15H2,1-6H3,(H,30,31)/t16-,17-,20+,25-,26-,27+/m1/s1
InChIKeyJTEXACAUXDMYDF-GAEDQJCFSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (20615519)
ChEBI Ontology
Outgoing Relation(s)
4,4,14alpha-trimethyl-3,7-dioxo-5alpha-chol-8-en-24-oic acid (CHEBI:212501) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4R)-4-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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