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CHEBI:86075 - (24S,26)-dihydroxycholesterol

ChEBI IDCHEBI:86075
ChEBI Name(24S,26)-dihydroxycholesterol
Stars
ASCII Name(24S,26)-dihydroxycholesterol
DefinitionAn oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 26.
Last Modified25 October 2017
Submitternhn
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](O)C(C)CO
InChIInChI=1S/C27H46O3/c1-17(5-10-25(30)18(2)16-28)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-30H,5,7-16H2,1-4H3/t17-,18?,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyXMULUVSUDUCTFU-WPFPFMOUSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(24S,26)-dihydroxycholesterol (CHEBI:86075) has functional parent cholesterol (CHEBI:16113)
(24S,26)-dihydroxycholesterol (CHEBI:86075) has role human metabolite (CHEBI:77746)
(24S,26)-dihydroxycholesterol (CHEBI:86075) is a 24-hydroxy steroid (CHEBI:36865)
(24S,26)-dihydroxycholesterol (CHEBI:86075) is a 26-hydroxy steroid (CHEBI:36852)
(24S,26)-dihydroxycholesterol (CHEBI:86075) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(24S,26)-dihydroxycholesterol (CHEBI:86075) is a 3β-sterol (CHEBI:35348)
(24S,26)-dihydroxycholesterol (CHEBI:86075) is a oxysterol (CHEBI:53030)
IUPAC Name 
(3β,24S)-cholest-5-ene-3,24,26-triol
Synonyms  Source
cholest-5-en-3β,24S,27-triolSUBMITTER
cholest-5-en-3β,24S,26-triolLIPID MAPS
UniProt Name  Source
24S,27-dihydroxycholesterolUniProt
Manual XrefsDatabases
LMST01010129LIPID MAPS
Registry NumbersSources
Reaxys:27356794Reaxys
Citations