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CHEBI:172965 - 5alpha-cholest-22E-en-3beta-ol

ChEBI IDCHEBI:172965
ChEBI Name5alpha-cholest-22E-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O
Net Charge0
Average Mass386.664
Monoisotopic Mass386.35487
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C/CC(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6+/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyBWGQUGBECNWWDB-PNAUCWDRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
5alpha-cholest-22E-en-3beta-ol (CHEBI:172965) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01010099LIPID MAPS
4446758ChemSpider
Registry NumbersSources
CAS:58560-38-6ChemIDplus