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CHEBI:172981 - 14alpha-methyl-5alpha-cholest-9(11)-en-3beta-ol

ChEBI IDCHEBI:172981
ChEBI Name14alpha-methyl-5alpha-cholest-9(11)-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILES[H][C@@]12CC[C@]3([H])C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h14,19-23,25,29H,7-13,15-18H2,1-6H3/t20-,21+,22+,23-,25-,26+,27-,28+/m1/s1
InChIKeyZQWIMCCBIVTVLN-OKNUAVKUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
14alpha-methyl-5alpha-cholest-9(11)-en-3beta-ol (CHEBI:172981) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,8S,10S,13R,14S,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol