CHEBI:191941 - (16S)-hydroxy-22-oxocholesterol

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ChEBI Name (16S)-hydroxy-22-oxocholesterol
ChEBI ID CHEBI:191941
ChEBI ASCII Name (16S)-hydroxy-22-oxocholesterol
Definition A C27-steroid that is cholesterol carrying a hydroxy group at position 16S and an oxo group at position 22.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C27H44O3
Net Charge 0
Average Mass 416.646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-16(2)6-9-23(29)17(3)25-24(30)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h7,16-17,19-22,24-25,28,30H,6,8-15H2,1-5H3/t17-,19+,20-,21+,22+,24+,25+,26+,27+/m1/s1
InChIKey VTNZQXZPUYPXFT-AHWSEQNHSA-N
SMILES [H][C@@]12C[C@H](O)[C@]([H])([C@H](C)C(=O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (16S)-hydroxy-22-oxocholesterol (CHEBI:191941) has functional parent (16S,22S)-dihydroxycholesterol (CHEBI:191938)
(16S)-hydroxy-22-oxocholesterol (CHEBI:191941) has role plant metabolite (CHEBI:76924)
(16S)-hydroxy-22-oxocholesterol (CHEBI:191941) is a 16β-hydroxy steroid (CHEBI:17354)
(16S)-hydroxy-22-oxocholesterol (CHEBI:191941) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(16S)-hydroxy-22-oxocholesterol (CHEBI:191941) is a 3β-sterol (CHEBI:35348)
(16S)-hydroxy-22-oxocholesterol (CHEBI:191941) is a C27-steroid (CHEBI:131619)
(16S)-hydroxy-22-oxocholesterol (CHEBI:191941) is a cholestanoid (CHEBI:50401)
Incoming (22R)-furost-5-en-3β,22-diol (CHEBI:191946) has functional parent (16S)-hydroxy-22-oxocholesterol (CHEBI:191941)
IUPAC Name
3β,16β-dihydroxycholest-5-en-22-one
Synonyms Sources
(16S)-hydroxy-22-oxocholesterol UniProt
(S)-16-hydroxy-22-ketocholesterol SUBMITTER
(S)-16-hydroxy-22-oxocholesterol SUBMITTER
Citation Waiting for Citations Type Source
31324795 PubMed citation SUBMITTER
Last Modified
18 May 2022