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CHEBI:186051 - 5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol

ChEBI IDCHEBI:186051
ChEBI Name5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]13OO[C@@]4(C[C@@H](O)CC[C@@]41C)[C@H](O)C=C23
InChIInChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27-16-19(28)11-12-25(27,5)26(22,30-31-27)14-13-24(20,21)4/h15,17-21,23,28-29H,6-14,16H2,1-5H3/t18-,19+,20-,21+,23-,24-,25-,26-,27+/m1/s1
InChIKeySUKPXTNRRMFHTM-OENDBEBLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol (CHEBI:186051) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(1R,2R,5R,8R,9R,12R,13R,16S)-9,13-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-ene-2,16-diol
Manual XrefsDatabases
113385015ChemSpider
LMST01010251LIPID MAPS