EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172989 - 4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol

ChEBI IDCHEBI:172989
ChEBI Name4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILES[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)[C@H]2C
InChIInChI=1S/C30H48O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h12,14,19,21-24,27,31H,3,9-11,13,15-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
InChIKeyMQQBTSOGCQNWAX-VSADUBDNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol (CHEBI:172989) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01030107LIPID MAPS
4446742ChemSpider