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CHEBI:1301 - (22S)-22-hydroxycholesterol

ChEBI IDCHEBI:1301
ChEBI Name(22S)-22-hydroxycholesterol
Stars
ASCII Name(22S)-22-hydroxycholesterol
DefinitionAn oxysterol that is the 22S-hydroxy derivative of cholesterol.
Last Modified24 April 2017
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
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)[C@@H](O)CCC(C)C
InChIInChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKeyRZPAXNJLEKLXNO-QUOSNDFLSA-N
ChEBI Ontology
Outgoing Relation(s)
(22S)-22-hydroxycholesterol (CHEBI:1301) has functional parent cholesterol (CHEBI:16113)
(22S)-22-hydroxycholesterol (CHEBI:1301) is a 22-hydroxy steroid (CHEBI:36863)
(22S)-22-hydroxycholesterol (CHEBI:1301) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(22S)-22-hydroxycholesterol (CHEBI:1301) is a oxysterol (CHEBI:53030)
IUPAC Name 
(22S)-cholest-5-ene-3β,22-diol
Synonym  Source
(3beta,22S)-Cholest-5-ene-3,22-diolChemIDplus
UniProt Name  Source
(22S)-22-hydroxycholesterolUniProt
Registry NumbersSources
CAS:22348-64-7KEGG COMPOUND
CAS:22348-64-7ChemIDplus