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CHEBI:172968 - cholesta-4,6,8(14)-trien-3beta-ol

ChEBI IDCHEBI:172968
ChEBI Namecholesta-4,6,8(14)-trien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@]1([C@H](C)CCCC(C)C)CCC2=C3C=CC4=C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H42O/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/h9-10,17-19,21,23,25,28H,6-8,11-16H2,1-5H3/t19-,21+,23-,25?,26+,27-/m1/s1
InChIKeyIRWHGBOEXIKZOS-HMSMGGGVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
cholesta-4,6,8(14)-trien-3beta-ol (CHEBI:172968) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
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