CHEBI:64294 - 7-ketocholesterol

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ChEBI Name 7-ketocholesterol
ChEBI ID CHEBI:64294
Definition A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bruce May
Supplier Information
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Formula C27H44O2
Net Charge 0
Average Mass 400.63710
Monoisotopic Mass 400.334
InChI InChI=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
InChIKey YIKKMWSQVKJCOP-ABXCMAEBSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Roles Classification
Application(s): neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3-beta)-3-Hydroxycholest-5-en-7-one ChemIDplus
(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-one SUBMITTER
3-beta-Hydroxycholest-5-en-7-one ChemIDplus
3β-hydroxycholest-5-en-7-one UniProt
7-oxocholesterol SUBMITTER
Registry Numbers Types Sources
2169084 Reaxys Registry Number Reaxys
2169084 Beilstein Registry Number ChemIDplus
566-28-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
25 April 2017