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CHEBI:172966 - 4alpha-methyl-5alpha-cholestan-3beta-ol

ChEBI IDCHEBI:172966
ChEBI Name4alpha-methyl-5alpha-cholestan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O
Net Charge0
Average Mass402.707
Monoisotopic Mass402.38617
SMILES[H][C@@]12CC[C@@]3([H])[C@H](C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C28H50O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25+,26+,27-,28+/m1/s1
InChIKeyAMNBDMZNFAQUHN-YNHNSGJVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
4alpha-methyl-5alpha-cholestan-3beta-ol (CHEBI:172966) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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20037348ChemSpider