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CHEBI:167166 - 3-oxocholestane

ChEBI IDCHEBI:167166
ChEBI Name3-oxocholestane
Stars
DefinitionA ketocholestane that is cholestane which carries an oxo group at position 3.
Last Modified22 January 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H46O
Net Charge0
Average Mass386.664
Monoisotopic Mass386.35487
SMILES[H][C@@]12CCC3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyPESKGJQREUXSRR-ZTPZMMAUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-oxocholestane (CHEBI:167166) is a ketocholestane (CHEBI:131643)
Incoming Relation(s)
25-hydroxy 3-oxocholestane (CHEBI:167167) has functional parent 3-oxocholestane (CHEBI:167166)
5α-cholestan-3-one (CHEBI:17762) is a 3-oxocholestane (CHEBI:167166)
5β-cholestan-3-one (CHEBI:16074) is a 3-oxocholestane (CHEBI:167166)
IUPAC Name 
cholestan-3-one
Synonym  Source
3-ketocholestaneSUBMITTER
UniProt Name  Source
3-oxocholestaneUniProt
Manual XrefsDatabases
9058842ChemSpider
Registry NumbersSources
CAS:15600-08-5ChemIDplus
CAS:15600-08-5NIST Chemistry WebBook
Citations