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CHEBI:64294 - 7-ketocholesterol

ChEBI IDCHEBI:64294
ChEBI Name7-ketocholesterol
Stars
DefinitionA cholestanoid that consists of cholesterol bearing an oxo substituent at position 7.
Last Modified10 September 2021
Submitterbroose.reactome@gmail.com
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])C(=O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKeyYIKKMWSQVKJCOP-ABXCMAEBSA-N
Roles Classification
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
7-ketocholesterol (CHEBI:64294) has functional parent cholesterol (CHEBI:16113)
7-ketocholesterol (CHEBI:64294) has role neuroprotective agent (CHEBI:63726)
7-ketocholesterol (CHEBI:64294) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
7-ketocholesterol (CHEBI:64294) is a 3β-sterol (CHEBI:35348)
7-ketocholesterol (CHEBI:64294) is a 7-oxo steroid (CHEBI:47789)
7-ketocholesterol (CHEBI:64294) is a cholestanoid (CHEBI:50401)
IUPAC Name 
3β-hydroxycholest-5-en-7-one
Synonyms  Source
(3-beta)-3-Hydroxycholest-5-en-7-oneChemIDplus
3-beta-Hydroxycholest-5-en-7-oneChemIDplus
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-oneSUBMITTER
7-oxocholesterolSUBMITTER
UniProt Name  Source
7-oxocholesterolUniProt
Registry NumbersSources
Reaxys:2169084Reaxys
CAS:566-28-9ChemIDplus
Citations