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CHEBI:85779 - 4β,7α-dihydroxycholesterol

ChEBI IDCHEBI:85779
ChEBI Name4β,7α-dihydroxycholesterol
Stars
ASCII Name4beta,7alpha-dihydroxycholesterol
DefinitionAn oxysterol that is cholesterol carrying two additional hydroxy groups at the 4β and 7α positions.
Last Modified25 April 2017
Submitternhn
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])[C@H](O)C=C1[C@@H](O)[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)18-9-10-19-24-20(11-13-26(18,19)4)27(5)14-12-22(28)25(30)21(27)15-23(24)29/h15-20,22-25,28-30H,6-14H2,1-5H3/t17-,18-,19+,20+,22+,23-,24+,25-,26-,27-/m1/s1
InChIKeyNEITZYUKMAAGFE-DNPWHXEXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12077124)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
4β,7α-dihydroxycholesterol (CHEBI:85779) has role human xenobiotic metabolite (CHEBI:76967)
4β,7α-dihydroxycholesterol (CHEBI:85779) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
4β,7α-dihydroxycholesterol (CHEBI:85779) is a 3β-sterol (CHEBI:35348)
4β,7α-dihydroxycholesterol (CHEBI:85779) is a 4-hydroxy steroid (CHEBI:62846)
4β,7α-dihydroxycholesterol (CHEBI:85779) is a 7α-hydroxy steroid (CHEBI:36843)
4β,7α-dihydroxycholesterol (CHEBI:85779) is a oxysterol (CHEBI:53030)
4β,7α-dihydroxycholesterol (CHEBI:85779) is a triol (CHEBI:27136)
IUPAC Name 
cholest-5-en-3β,4β,7α-triol
Synonym  Source
(3β,4β,7α)-cholest-5-ene-3,4,7-triolIUPAC
UniProt Name  Source
4β,7α-dihydroxycholesterolUniProt
Registry NumbersSources
Reaxys:3220537Reaxys
Citations