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CHEBI:2287 - 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one

ChEBI IDCHEBI:2287
ChEBI Name7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
Stars
Last Modified26 April 2017
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@]12CC(=O)CCC1(C)C1C[C@H](O)C3(C)C(C(C)CCCC(C)C)CCC3C1[C@H](O)C2
InChIInChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18-,20?,21?,22?,23-,24+,25?,26?,27?/m1/s1
InChIKeyHHVQPBXBALLUDF-SVWKRCSNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one (CHEBI:2287) is a 3-oxo-5α-steroid (CHEBI:13601)
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one (CHEBI:2287) is a cholestanoid (CHEBI:50401)
Synonym  Source
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-oneKEGG COMPOUND
Manual XrefsDatabases
C05458KEGG COMPOUND