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CHEBI:157665 - cholest-4,6-dien-3-one

ChEBI IDCHEBI:157665
ChEBI Namecholest-4,6-dien-3-one
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@@]12C=CC3=CC(=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/C27H42O/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/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyXIWMRKFKSRYSIJ-GYKMGIIDSA-N
ChEBI Ontology
Outgoing Relation(s)
cholest-4,6-dien-3-one (CHEBI:157665) is a 3-oxo-Δ4 steroid (CHEBI:47909)
cholest-4,6-dien-3-one (CHEBI:157665) is a cholestanoid (CHEBI:50401)
UniProt Name  Source
cholest-4,6-dien-3-oneUniProt
Citations