C03664


Entry
C03664                      Compound                               
Name
2,4-Dichlorophenoxyacetate;
2,4-Dichlorophenoxyacetic acid;
2,4-D
Formula
C8H6Cl2O3
Exact mass
219.9694
Mol weight
221.0374
Structure
Reaction
R05419 R05505
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.11.-       1.97.1.-
Brite
Endocrine disrupting compounds [BR:br08006]
 Pesticides and herbicides
  Phenoxy herbicides
   C03664  2,4-Dichlorophenoxyacetate
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Phenoxy herbicides
    C03664  2,4-Dichlorophenoxyacetate
Other DBs
CAS: 94-75-7
PubChem: 6442
ChEBI: 165232 28854
PDB-CCD: CFA[PDBj]
3DMET: B00614
NIKKAJI: J3.947K
KCF data

ATOM        13
            1   C8y C    28.1242  -17.2741
            2   C8y C    28.1668  -18.6809
            3   C8x C    26.9068  -16.6017
            4   O2a O    29.3200  -16.5494
            5   C8x C    26.9600  -19.4122
            6   X   Cl   29.3831  -19.3389
            7   C8x C    25.7000  -17.3331
            8   C1b C    30.5430  -17.2184
            9   C8y C    25.7160  -18.7334
            10  C6a C    31.7355  -16.4881
            11  X   Cl   24.5201  -19.4581
            12  O6a O    32.9585  -17.1570
            13  O6a O    31.6997  -15.0923
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   10  13 2
            13    7   9 1