KEGG   COMPOUND: 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
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

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