CHEBI:87476 - (25R)-7α,26-dihydroxycholest-4-en-3-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (25R)-7α,26-dihydroxycholest-4-en-3-one ChEBI ID CHEBI:87476 ChEBI ASCII Name (25R)-7alpha,26-dihydroxycholest-4-en-3-one Definition An oxysterol that is cholesterol which is substituted by an oxo group at position 3 and hydroxy groups at positions 7α and 26. It 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/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1 InChIKey KVJVJJWIEXCECB-OICBIKJFSA-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](CCC[C@@H](C)CO)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 (25R)-7α,26-dihydroxycholest-4-en-3-one (CHEBI:87476) has role human metabolite (CHEBI:77746) (25R)-7α,26-dihydroxycholest-4-en-3-one (CHEBI:87476) is a 26-hydroxy steroid (CHEBI:36852) (25R)-7α,26-dihydroxycholest-4-en-3-one (CHEBI:87476) is a 3-oxo steroid (CHEBI:47788) (25R)-7α,26-dihydroxycholest-4-en-3-one (CHEBI:87476) is a 7α-hydroxy steroid (CHEBI:36843) (25R)-7α,26-dihydroxycholest-4-en-3-one (CHEBI:87476) is a cholestanoid (CHEBI:50401) IUPAC Name (25R)-7α,26-dihydroxycholest-4-en-3-one Synonyms Sources (25R)-7α,26-dihydroxycholest-4-en-3-one UniProt (7α,25R)-7,26-dihydroxycholest-4-en-3-one IUPAC Registry Number Type Source 7722873 Reaxys Registry Number Reaxys Citation Type Source 11067870 PubMed citation SUBMITTER Last Modified 02 September 2015