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CHEBI:187969 - 5beta-cholest-24-ene-3alpha,7alpha-diol

ChEBI IDCHEBI:187969
ChEBI Name5beta-cholest-24-ene-3alpha,7alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC=C(C)C)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7,18-25,28-29H,6,8-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyDVOUHDSKUHUBQI-TVRYRFOISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
5beta-cholest-24-ene-3alpha,7alpha-diol (CHEBI:187969) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual XrefsDatabases
4447360ChemSpider
LMST04030115LIPID MAPS