KEGG   COMPOUND: C00870Help
Entry
C00870                      Compound                               

Name
4-Nitrophenol;
p-Nitrophenol;
PNP;
Niphen;
4-Hydroxynitrobenzene
Formula
C6H5NO3
Exact mass
139.0269
Mol weight
139.1088
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Aminobenzoate degradation
Microbial metabolism in diverse environments
Enzyme
1.14.13.29      1.14.13.167     3.1.3.1         3.1.3.2         
3.1.3.41        3.1.8.1
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Category 2
  Inorganic and organic chemicals
   Nitrophenol
    C00870  4-Nitrophenol
BRITE hierarchy
Other DBs
CAS: 
100-02-7
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        10
            1   C8y C    27.5100  -19.6110
            2   N2b N    27.5037  -21.0008 #+
            3   C8x C    26.3058  -18.9000
            4   C8x C    28.7333  -18.9000
            5   O3a O    28.7014  -21.7119 #-
            6   C8x C    26.3058  -17.4909
            7   C8x C    28.7333  -17.4909
            8   C8y C    27.5100  -16.7927
            9   O1a O    27.5037  -15.4027
            10  O3a O    26.2906  -21.6878
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     6   8 2
            8     8   9 1
            9     7   8 1
            10    2  10 2

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