KEGG   COMPOUND: C06813
Entry
C06813                      Compound                               
Name
Nitrobenzene;
Nitrobenzol
Formula
C6H5NO2
Exact mass
123.032
Mol weight
123.1094
Structure
Reaction
R05401 R07706 R11744
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.7.1.16        1.14.12.23
Other DBs
CAS: 98-95-3
PubChem: 9032
ChEBI: 27798
PDB-CCD: NBZ[PDBj]
3DMET: B01056
NIKKAJI: J3.989F
KCF data

ATOM        9
            1   C8y C    28.8761  -16.6074
            2   C8x C    27.6601  -17.3032
            3   C8x C    30.0863  -17.3032
            4   N2b N    28.8761  -15.2102 #+
            5   C8x C    27.6601  -18.7063
            6   C8x C    30.0863  -18.7063
            7   O3a O    30.4421  -14.4386 #-
            8   O3a O    27.6659  -14.5086
            9   C8x C    28.8761  -19.4020
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2

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  All links  
Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (10)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (3)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (5)   
   KEGG ENZYME (2)   
   KEGG REACTION (3)   
Gene (383)   
   KEGG GENES (383)   
All databases (401)   

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