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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H44O2 Net Charge 0 Average Mass 400.63710 Monoisotopic Mass 400.33413 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 7-oxocholesterol 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 Types Sources 17846428 PubMed citation Europe PMC 18469840 PubMed citation Europe PMC 18495460 PubMed citation Europe PMC 18603819 PubMed citation Europe PMC 18936140 PubMed citation Europe PMC 19351882 PubMed citation Europe PMC 19429117 PubMed citation Europe PMC 19464253 PubMed citation Europe PMC 19834037 PubMed citation Europe PMC 19880645 PubMed citation Europe PMC 20424663 PubMed citation Europe PMC 20463934 PubMed citation Europe PMC 20466046 PubMed citation Europe PMC 20471966 PubMed citation Europe PMC 20554621 PubMed citation Europe PMC 20698354 PubMed citation Europe PMC 21035514 PubMed citation Europe PMC Last Modified 10 September 2021