KEGG   COMPOUND: C06606
Entry
C06606                      Compound                               
Name
Paraoxon;
O,O-Diethyl-O-p-nitrophenylphosphoric acid
Formula
C10H14NO6P
Exact mass
275.0559
Mol weight
275.195
Structure
Remark
Same as: D10529
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.14.1       1.14.-.-        3.1.8.1
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB10 Paraoxon
      D10529  Paraoxon
Drug groups [BR:br08330]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   D10529  Paraoxon
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D10529  Paraoxon
Other DBs
CAS: 311-45-5
PubChem: 8832
ChEBI: 27827
NIKKAJI: J5.657J
KCF data

ATOM        18
            1   P1b P    27.2929  -17.3653
            2   O2b O    27.9949  -18.5745
            3   C8y C    29.3982  -18.5708
            4   C8x C    30.0997  -17.3521
            5   C8x C    30.1061  -19.7803
            6   C8x C    31.4971  -17.3484
            7   C8x C    31.5035  -19.7766
            8   C8y C    32.1991  -18.5634
            9   N2b N    33.5966  -18.5597 #+
            10  O3a O    34.3681  -16.9267
            11  O3a O    34.3746  -19.9149 #-
            12  O2b O    26.5929  -16.1528
            13  O3b O    28.6454  -16.5253
            14  O2b O    26.0805  -18.0653
            15  C1b C    25.2001  -16.1529
            16  C1a C    24.5073  -14.9534
            17  C1b C    24.6805  -18.0653
            18  C1a C    23.9904  -19.2609
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 2
            10    9  11 1
            11    7   8 2
            12    1  12 1
            13    1  13 2
            14    1  14 1
            15   12  15 1
            16   15  16 1
            17   14  17 1
            18   17  18 1

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