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CHEBI:83863 - (25S)-3-ketocholest-4-en-26-al

ChEBI IDCHEBI:83863
ChEBI Name(25S)-3-ketocholest-4-en-26-al
Stars
ASCII Name(25S)-3-ketocholest-4-en-26-al
DefinitionA 3-ketocholest-4-en-26-al in which the 25-position has S-configuration.
Last Modified2 February 2015
Submitternhn
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILES[H]C(=O)[C@@H](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+/m0/s1
InChIKeyBGGFPZPRXRJKGG-NYJSJAOLSA-N
ChEBI Ontology
Outgoing Relation(s)
(25S)-3-ketocholest-4-en-26-al (CHEBI:83863) is a 3-ketocholest-4-en-26-al (CHEBI:83746)
IUPAC Name 
(25S)-3-oxocholest-4-en-26-al
UniProt Name  Source
(25S)-3-oxocholest-4-en-26-alUniProt
Registry NumbersSources
Reaxys:22552768Reaxys
Citations