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CHEBI:1294 - (20R,22R)-20,22-dihydroxycholesterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (20R,22R)-20,22-dihydroxycholesterol
ChEBI ID CHEBI:1294
ChEBI ASCII Name (20R,22R)-20,22-dihydroxycholesterol
Definition An oxysterol that is cholesterol substituted by hydroxy groups at positions 20 and 22 (the 20R,22R-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O3
Net Charge 0
Average Mass 418.65234
Monoisotopic Mass 418.345
InChI InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
InChIKey ISBSSBGEYIBVTO-TYKWNDPBSA-N
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@@](C)(O)[C@H](O)CCC(C)C
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via sterol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) has role human metabolite (CHEBI:77746)
(20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) has role mouse metabolite (CHEBI:75771)
(20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) is a 20-hydroxy steroid (CHEBI:36854)
(20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) is a 22-hydroxy steroid (CHEBI:36863)
(20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) is a 3β-sterol (CHEBI:35348)
(20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) is a cholestanoid (CHEBI:50401)
(20R,22R)-20,22-dihydroxycholesterol (CHEBI:1294) is a oxysterol (CHEBI:53030)
IUPAC Name
(22R)-cholest-5-ene-3β,20,22-triol
Synonyms Sources
(20R,22R)-20,22-dihydroxycholesterol UniProt
(20R,22R)-20,22-Dihydroxycholesterol ChemIDplus
(22R)-20alpha,22-Dihydroxycholesterol KEGG COMPOUND
20,22-Dihydroxycholesterol ChemIDplus
20alpha,22beta-Dihydroxycholesterol KEGG COMPOUND
20alpha,22R-Dihydroxycholesterol ChemIDplus
Database Links Databases
20A-20B-DIHYDROXY-CHOLESTEROL MetaCyc
C05501 KEGG COMPOUND
HMDB06763 HMDB
LMST01010200 LIPID MAPS
View more database links
Registry Numbers Types Sources
2339391 Reaxys Registry Number Reaxys
2339391 Beilstein Registry Number Beilstein
596-94-1 CAS Registry Number ChemIDplus
Last Modified
27 January 2016