EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211180 - 14alpha-methylfecosterol

Default Structure
ChEBI IDCHEBI:211180
ChEBI Name14alpha-methylfecosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C
InChIInChI=1S/C29H48O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19,21-24,30H,3,8-18H2,1-2,4-7H3/t21-,22+,23+,24-,27+,28-,29+/m1/s1
InChIKeyOOSRLXVESAEQCR-GLISWAMPSA-N
Species of MetaboliteComponentSourceComments
Ustilago maydis (ncbitaxon:5270) - DOI (10.1016/0048-3575(82)90095-5)
ChEBI Ontology
Outgoing Relation(s)
14alpha-methylfecosterol (CHEBI:211180) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,10S,13R,14R,17R)-10,13,14-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
10403122ChemSpider