KEGG   COMPOUND: C00414Help
Entry
C00414                      Compound                               

Name
Cyclohexanone
Formula
C6H10O
Exact mass
98.0732
Mol weight
98.143
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Caprolactam degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Enzyme
1.1.1.90        1.1.1.245       1.3.99.14       1.4.3.12        
1.14.13.22      4.1.3.35
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C00414  Cyclohexanone
Pharmaceutical additives [BR:br08316]
 Solubilization agent
  C00414  [101626] Cyclohexanone
 Solvent
  C00414  [101626] Cyclohexanone
BRITE hierarchy
Other DBs
CAS: 
108-94-1
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        7
            1   C5x C    26.4600  -19.1589
            2   C1x C    25.2482  -19.8614
            3   C1x C    27.6718  -19.8614
            4   O5x O    26.4658  -17.7599
            5   C1x C    25.2482  -21.2606
            6   C1x C    27.6718  -21.2606
            7   C1x C    26.4600  -21.9630
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   7 1

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