CHEBI:85779 - 4β,7α-dihydroxycholesterol

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ChEBI Name 4β,7α-dihydroxycholesterol
ChEBI ID CHEBI:85779
ChEBI ASCII Name 4beta,7alpha-dihydroxycholesterol
Definition An oxysterol that is cholesterol carrying two additional hydroxy groups at the 4β and 7α positions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H46O3
Net Charge 0
Average Mass 418.65230
Monoisotopic Mass 418.34470
InChI InChI=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
InChIKey NEITZYUKMAAGFE-DNPWHXEXSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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 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
Synonyms Sources
(3β,4β,7α)-cholest-5-ene-3,4,7-triol IUPAC
4β,7α-dihydroxycholesterol UniProt
Registry Number Type Source
3220537 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12077124 PubMed citation SUBMITTER
Last Modified
25 April 2017