CHEBI:81013 - 7α,25-dihydroxy-4-cholesten-3-one

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ChEBI Name 7α,25-dihydroxy-4-cholesten-3-one
ChEBI ID CHEBI:81013
ChEBI ASCII Name 7alpha,25-dihydroxy-4-cholesten-3-one
Definition A cholestanoid that is 4-cholesten-3-one carrying two additional hydroxy substituents at positions 7α and 25.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O3
Net Charge 0
Average Mass 416.637
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKey POUKDTOWHPHYQU-HENOKILYSA-N
SMILES [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C[C@H]3O)C)[H])[H])(CC[C@@]2([C@@H](CCCC(O)(C)C)C)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) has functional parent cholest-4-en-3-one (CHEBI:16175)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) has role human metabolite (CHEBI:77746)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a 7α-hydroxy steroid (CHEBI:36843)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a C27-steroid (CHEBI:131619)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) is a cholestanoid (CHEBI:50401)
IUPAC Name
7α,25-dihydroxycholest-4-en-3-one
Synonyms Sources
(7α)-7,25-dihydroxycholest-4-en-3-one IUPAC
7α,25-dihydroxy-4-cholesten-3-one UniProt
7alpha,25-Dihydroxy-4-cholesten-3-one KEGG COMPOUND
7α,25-dihydroxycholestenone HMDB
Manual Xrefs Databases
C17332 KEGG COMPOUND
HMDB0060425 HMDB
View more database links
Registry Number Type Source
5620565 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
8662693 PubMed citation Europe PMC
9249018 PubMed citation Europe PMC
Last Modified
11 April 2018