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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7α-hydroxy-5β-cholestan-3-one
ChEBI ID CHEBI:2290
ChEBI ASCII Name 7alpha-hydroxy-5beta-cholestan-3-one
Definition A 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing an additional hydroxy substituent at position 7α .
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000013543210
Download Molfile XML SDF
Formula C27H46O2
Net Charge 0
Average Mass 402.65294
Monoisotopic Mass 402.34978
InChI InChI=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
InChIKey HWOOALPDOJHOPO-YREUSXKVSA-N
SMILES [H][C@]12C[C@@H](O)[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
5β-cholestan-7α-ol-3-one ChEBI
5beta-Cholestan-7alpha-ol-3-one KEGG COMPOUND
7α-hydroxy-5β-cholestan-3-one UniProt
7alpha-Hydroxy-5beta-cholestan-3-one KEGG COMPOUND
Manual Xrefs Databases
C05451 KEGG COMPOUND
CPD-10548 MetaCyc
HMDB0006892 HMDB
LMST04030112 LIPID MAPS
View more database links
Registry Numbers Types Sources
2300476 Beilstein Registry Number Beilstein
3159830 Reaxys Registry Number Reaxys
Last Modified
26 April 2017