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

ChEBI IDCHEBI:191941
ChEBI Name(16S)-hydroxy-22-oxocholesterol
Stars
ASCII Name(16S)-hydroxy-22-oxocholesterol
DefinitionA C27-steroid that is cholesterol carrying a hydroxy group at position 16S and an oxo group at position 22.
Last Modified18 May 2022
Submitterlaimo
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]1([C@H](C)C(=O)CCC(C)C)[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=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
InChIKeyVTNZQXZPUYPXFT-AHWSEQNHSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(S)-16-hydroxy-22-oxocholesterolSUBMITTER
(S)-16-hydroxy-22-ketocholesterolSUBMITTER
UniProt Name  Source
(16S)-hydroxy-22-oxocholesterolUniProt
Citations