EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172615 - 5a-Cholesta-8,24-dien-3-one

ChEBI IDCHEBI:172615
ChEBI Name5a-Cholesta-8,24-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CCC2CC(=O)CC[C@]12C
InChIInChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20?,23-,24+,26+,27-/m1/s1
InChIKeyAUNLIRXIJAVBNM-YBXLEUBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
5a-Cholesta-8,24-dien-3-one (CHEBI:172615) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0001093HMDB
17216058ChemSpider