KEGG   COMPOUND: C14866Help
Entry
C14866                      Compound                               

Name
Chloral;
Trichloroacetaldehyde
Formula
C2HCl3O
Exact mass
145.9093
Mol weight
147.3877
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00625  Chloroalkane and chloroalkene degradation
map00980  Metabolism of xenobiotics by cytochrome P450
map01120  Microbial metabolism in diverse environments
map05204  Chemical carcinogenesis
Enzyme
1.1.-.-         1.14.13.-       1.14.14.1       1.14.-.-
Brite
Carcinogens [BR:br08008]
 Group 2A: Probably carcinogenic to humans
  Compounds
   C14866  Chloral
BRITE hierarchy
Other DBs
CAS: 75-87-6
PubChem: 17395864
ChEBI: 48814
ChEMBL: CHEMBL27551
PDB-CCD: CLX[PDBj]
NIKKAJI: J1.469I
LinkDB All DBs
KCF data Show

ATOM        6
            1   C1d C    24.8664  -19.9742
            2   C4a C    26.2664  -19.9742
            3   X   Cl   24.1664  -21.1865
            4   X   Cl   24.1664  -18.7617
            5   O4a O    26.9664  -21.1865
            6   X   Cl   23.4664  -19.9742
BOND        5
            1     1   4 1
            2     2   5 2
            3     1   3 1
            4     1   2 1
            5     1   6 1

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