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 No supplier information found for this compound.
Download Molfile XML SDF
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