KEGG   COMPOUND: C07100Help
Entry
C07100                      Compound                               

Name
2,4,5-Trichlorophenoxyacetic acid;
2,4,5-T
Formula
C8H5Cl3O3
Exact mass
253.9304
Mol weight
255.4825
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.-
Brite
Endocrine disrupting compounds [BR:br08006]
 Pesticides and herbicides
  Phenoxy herbicides
   C07100  2,4,5-Trichlorophenoxyacetic acid
Pesticides [BR:br08007]
 Obsolete pesticides
  Plant growth regulators
   Auxins
    C07100  2,4,5-Trichlorophenoxyacetic acid
BRITE hierarchy
Other DBs
CAS: 93-76-5
PubChem: 9311
ChEBI: 27903
ChEMBL: CHEMBL194458
PDB-CCD: F52[PDBj]
3DMET: B01067
NIKKAJI: J3.941A
KCF data Show

ATOM        14
            1   C8y C    28.4585  -17.8068
            2   C8y C    28.5047  -19.2044
            3   C8x C    27.2604  -17.0866
            4   O2a O    29.6833  -17.1344
            5   C8x C    27.2128  -19.8820
            6   X   Cl   29.6357  -19.9298
            7   C8y C    26.0385  -17.7642
            8   C1b C    30.8865  -17.8517
            9   C8y C    26.0096  -19.1647
            10  X   Cl   24.8324  -17.0416
            11  C6a C    32.1112  -17.1792
            12  X   Cl   24.7854  -19.8502
            13  O6a O    33.3094  -17.8995
            14  O6a O    32.1322  -15.7765
BOND        14
            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     7  10 1
            10    8  11 1
            11    9  12 1
            12   11  13 1
            13   11  14 2
            14    7   9 1

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