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CHEBI:86145 - (7α,22R)-dihydroxycholesterol

ChEBI IDCHEBI:86145
ChEBI Name(7α,22R)-dihydroxycholesterol
Stars
ASCII Name(7alpha,22R)-dihydroxycholesterol
DefinitionAn oxysterol that is cholesterol which is substituted by hydroxy groups at positions 7α and 22R.
Last Modified25 April 2017
Submitterlaimo
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)[C@H](O)CCC(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H46O3/c1-16(2)6-9-23(29)17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21-,22-,23+,24+,25-,26-,27+/m0/s1
InChIKeyULLWYOKOOHAYDJ-SDLILUQASA-N
ChEBI Ontology
Outgoing Relation(s)
(7α,22R)-dihydroxycholesterol (CHEBI:86145) is a 22-hydroxy steroid (CHEBI:36863)
(7α,22R)-dihydroxycholesterol (CHEBI:86145) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(7α,22R)-dihydroxycholesterol (CHEBI:86145) is a 7α-hydroxy steroid (CHEBI:36843)
(7α,22R)-dihydroxycholesterol (CHEBI:86145) is a cholestanoid (CHEBI:50401)
(7α,22R)-dihydroxycholesterol (CHEBI:86145) is a oxysterol (CHEBI:53030)
IUPAC Name 
cholest-5-ene-3β,7α,22R-triol
Synonyms  Source
Cholest-5-ene-3,7,22-triolChemIDplus
7α,22R-dihydroxycholesterolChEBI
(3β,7α,22R)-cholest-5-ene-3,7,22-triolIUPAC
UniProt Name  Source
(22R,7α)-dihydroxycholesterolUniProt
Registry NumbersSources
Reaxys:5300002Reaxys
CAS:104786-66-5ChemIDplus