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

ChEBI IDCHEBI:87476
ChEBI Name(25R)-7α,26-dihydroxycholest-4-en-3-one
Stars
ASCII Name(25R)-7alpha,26-dihydroxycholest-4-en-3-one
DefinitionAn 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.
Last Modified2 September 2015
Submitternhn
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC[C@@H](C)CO)[C@]1([H])[C@H](O)CC1=CC(=O)CC[C@@]12C
InChIInChI=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
InChIKeyKVJVJJWIEXCECB-OICBIKJFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (11067870)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(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
Synonym  Source
(7α,25R)-7,26-dihydroxycholest-4-en-3-oneIUPAC
UniProt Name  Source
(25R)-7α,26-dihydroxycholest-4-en-3-oneUniProt
Registry NumbersSources
Reaxys:7722873Reaxys
Citations