CHEBI:87653 - (25R)-3β,26-dihydroxycholest-5-en-7-one

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ChEBI Name (25R)-3β,26-dihydroxycholest-5-en-7-one ChEBI ID CHEBI:87653 ChEBI ASCII Name (25R)-3beta,26-dihydroxycholest-5-en-7-one Definition An oxysterol that is 7-ketocholesterol which is substituted by a hydroxy group at position 26 and has R-configuration at position 25. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H44O3 Net Charge 0 Average Mass 416.637 Monoisotopic Mass 416.32905 InChI InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-23,25,28-29H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 InChIKey LFNAJBFFWWMSEW-HNFKANRHSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C=C2C[C@H](C1)O)=O)[H])(CC[C@@]4([C@H](C)CCC[C@@H](C)CO)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) has functional parent cholesterol (CHEBI:16113) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) has role human xenobiotic metabolite (CHEBI:76967) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 26-hydroxy steroid (CHEBI:36852) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 3β-sterol (CHEBI:35348) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 7-oxo steroid (CHEBI:47789) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a cholestanoid (CHEBI:50401) (25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a oxysterol (CHEBI:53030) IUPAC Name (25R)-3β,26-dihydroxycholest-5-en-7-one Synonyms Sources (25R)-3β,26-dihydroxycholest-5-en-7-one UniProt (25R)-7-ketocholest-5-en-3β,27-diol ChEBI (25R)-7-oxocholest-5-en-3β,27-diol SUBMITTER (3β,25R)-3,26-dihydroxycholest-5-en-7-one IUPAC Registry Number Type Source 8368987 Reaxys Registry Number Reaxys Citation Type Source 21411718 PubMed citation SUBMITTER Last Modified 25 April 2017