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CHEBI:83746 - 3-ketocholest-4-en-26-al

ChEBI IDCHEBI:83746
ChEBI Name3-ketocholest-4-en-26-al
Stars
DefinitionA 26-oxo steroid resulting from the oxidation of 3-oxocholest-4-en-26-ol to the corresponding aldehyde.
Last Modified14 June 2018
Submitternhn
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILES[H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyBGGFPZPRXRJKGG-XVENTEFESA-N
ChEBI Ontology
Outgoing Relation(s)
3-ketocholest-4-en-26-al (CHEBI:83746) has functional parent cholest-4-en-3-one (CHEBI:16175)
3-ketocholest-4-en-26-al (CHEBI:83746) is a 26-oxo steroid (CHEBI:36884)
3-ketocholest-4-en-26-al (CHEBI:83746) is a 3-oxo-Δ4 steroid (CHEBI:47909)
3-ketocholest-4-en-26-al (CHEBI:83746) is a cholestanoid (CHEBI:50401)
3-ketocholest-4-en-26-al (CHEBI:83746) is a steroid aldehyde (CHEBI:131565)
Incoming Relation(s)
(25R)-3-ketocholest-4-en-26-al (CHEBI:83862) is a 3-ketocholest-4-en-26-al (CHEBI:83746)
(25S)-3-ketocholest-4-en-26-al (CHEBI:83863) is a 3-ketocholest-4-en-26-al (CHEBI:83746)
IUPAC Name 
3-oxocholest-4-en-26-al
UniProt Name  Source
3-oxocholest-4-en-26-alUniProt
Manual XrefsDatabases
CPD-13888MetaCyc
Citations