KEGG   COMPOUND: C18625
Entry
C18625                      Compound                               
Name
4-Nitrobenzoate;
4-Nitrobenzoic acid;
p-Nitrobenzoic acid
Formula
C7H5NO4
Exact mass
167.0219
Mol weight
167.1189
Structure
Reaction
R12675
Enzyme
1.14.99.68
Other DBs
PubChem: 124489299
ChEBI: 262350
PDB-CCD: 4NB[PDBj]
KCF data

ATOM        12
            1   C8x C    36.1900  -22.0500
            2   C8x C    36.1900  -23.4500
            3   C8y C    37.3800  -24.1500
            4   C8x C    38.6400  -23.4500
            5   C8x C    38.6400  -22.0500
            6   C8y C    37.3800  -21.3500
            7   C6a C    37.3800  -19.9500
            8   N2b N    37.3800  -25.5500 #+
            9   O3a O    36.1900  -26.2500
            10  O3a O    38.5700  -26.2500 #-
            11  O6a O    38.5700  -19.2500
            12  O6a O    36.1900  -19.2500
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     3   8 1
            9     8   9 2
            10    8  10 1
            11    7  11 1
            12    7  12 2

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (5)   

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