EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212208 - (3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-OL

ChEBI IDCHEBI:212208
ChEBI Name(3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILESCC(C)=CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22,24-26,30H,8,10-18H2,1-7H3/t20-,22-,24?,25+,26+,28-,29-/m1/s1
InChIKeyGXGUDXDDESQQQQ-SNAQHUIWSA-N
Species of MetaboliteComponentSourceComments
Methylococcus capsulatus (ncbitaxon:414) - PubMed (4929985)
ChEBI Ontology
Outgoing Relation(s)
(3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-OL (CHEBI:212208) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5R,10R,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol