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

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ChEBI Name (22S)-22-hydroxycholesterol
ChEBI ID CHEBI:1301
ChEBI ASCII Name (22S)-22-hydroxycholesterol
Definition An oxysterol that is the 22S-hydroxy derivative of cholesterol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O2
Net Charge 0
Average Mass 402.65294
Monoisotopic Mass 402.34978
InChI InChI=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
InChIKey RZPAXNJLEKLXNO-QUOSNDFLSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)CCC(C)C
ChEBI Ontology
Outgoing (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
Synonyms Sources
(22S)-22-hydroxycholesterol UniProt
(3beta,22S)-Cholest-5-ene-3,22-diol ChemIDplus
Registry Number Type Source
22348-64-7 CAS Registry Number ChemIDplus
Last Modified
24 April 2017