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CHEBI:2290 - 7α-hydroxy-5β-cholestan-3-one

ChEBI IDCHEBI:2290
ChEBI Name7α-hydroxy-5β-cholestan-3-one
Stars
ASCII Name7alpha-hydroxy-5beta-cholestan-3-one
DefinitionA 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing an additional hydroxy substituent at position 7α .
Last Modified26 April 2017
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(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/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyHWOOALPDOJHOPO-YREUSXKVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
7α-hydroxy-5β-cholestan-3-one (CHEBI:2290) has parent hydride 5β-cholestane (CHEBI:35517)
7α-hydroxy-5β-cholestan-3-one (CHEBI:2290) has role human metabolite (CHEBI:77746)
7α-hydroxy-5β-cholestan-3-one (CHEBI:2290) has role mouse metabolite (CHEBI:75771)
7α-hydroxy-5β-cholestan-3-one (CHEBI:2290) is a 3-oxo-5β-steroid (CHEBI:1624)
7α-hydroxy-5β-cholestan-3-one (CHEBI:2290) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name 
7α-hydroxy-5β-cholestan-3-one
Synonyms  Source
7alpha-Hydroxy-5beta-cholestan-3-oneKEGG COMPOUND
5β-cholestan-7α-ol-3-oneChEBI
5beta-Cholestan-7alpha-ol-3-oneKEGG COMPOUND
UniProt Name  Source
7α-hydroxy-5β-cholestan-3-oneUniProt
Manual XrefsDatabases
C05451KEGG COMPOUND
LMST04030112LIPID MAPS
HMDB0006892HMDB
CPD-10548MetaCyc
Registry NumbersSources
Beilstein:2300476Beilstein
Reaxys:3159830Reaxys