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 search
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  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]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Nitrophenol
    C00870  4-Nitrophenol
BRITE hierarchy
Other DBs
CAS: 100-02-7
PubChem: 4127
ChEBI: 16836
ChEMBL: CHEMBL14130
PDB-CCD: NPO[PDBj]
NIKKAJI: J4.001K
LinkDB All DBs
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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