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CHEBI:187704 - cholesta-6,8(14)-dien-3beta,5alpha-diol

ChEBI IDCHEBI:187704
ChEBI Namecholesta-6,8(14)-dien-3beta,5alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]1([C@H](C)CCCC(C)C)CCC2=C3C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H44O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,16,18-20,22,24,28-29H,6-11,13-15,17H2,1-5H3/t19-,20+,22-,24?,25-,26-,27-/m1/s1
InChIKeyJVKATXXFNVGWKA-VSNSLMPDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
cholesta-6,8(14)-dien-3beta,5alpha-diol (CHEBI:187704) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5-diol
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