CHEBI:17899 - 7α-hydroxycholest-4-en-3-one

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ChEBI Name 7α-hydroxycholest-4-en-3-one
ChEBI ID CHEBI:17899
ChEBI ASCII Name 7alpha-hydroxycholest-4-en-3-one
Definition A cholestanoid consisting of a cholesterol core having an oxo group at the 3-position, a C=C bond at the 4,5-position and an α-hydroxy group at the 7-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2292, CHEBI:20800, CHEBI:12262, CHEBI:58317
Supplier Information ChemicalBook:CB3326778, eMolecules:518114, eMolecules:1844537, ZINC000000388081
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Formulae C27H44O2
C27H44O2
Net Charge 0
Average Mass 400.63706
Monoisotopic Mass 400.33413
InChI InChI=1S/C27H44O2/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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey IOIZWEJGGCZDOL-RQDYSCIWSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
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).
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ChEBI Ontology
Outgoing 7α-hydroxycholest-4-en-3-one (CHEBI:17899) has role human metabolite (CHEBI:77746)
7α-hydroxycholest-4-en-3-one (CHEBI:17899) has role mouse metabolite (CHEBI:75771)
7α-hydroxycholest-4-en-3-one (CHEBI:17899) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α-hydroxycholest-4-en-3-one (CHEBI:17899) is a 7α-hydroxy steroid (CHEBI:36843)
7α-hydroxycholest-4-en-3-one (CHEBI:17899) is a cholestanoid (CHEBI:50401)
IUPAC Name
7α-hydroxycholest-4-en-3-one
Synonyms Sources
7alpha-Hydroxy-4-cholesten-3-one ChemIDplus
7α-hydroxycholest-4-en-3-one UniProt
7alpha-Hydroxycholest-4-en-3-one KEGG COMPOUND
Cholest-4-en-7alpha-ol-3-one ChemIDplus
Manual Xrefs Databases
C05455 KEGG COMPOUND
LMST04030123 LIPID MAPS
View more database links
Registry Number Type Source
3862-25-7 CAS Registry Number ChemIDplus
Last Modified
18 October 2017