KEGG   COMPOUND: C16394Help
Entry
C16394                      Compound                               

Name
4-Amino-2,6-dinitrotoluene
Formula
C7H7N3O4
Exact mass
197.0437
Mol weight
197.1482
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.1.-
Other DBs
CAS: 19406-51-0
PubChem: 47205692
ChEBI: 77424
NIKKAJI: J489.741B
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8y C    28.0839  -23.6971
            2   C8x C    28.0839  -25.0965
            3   C8y C    29.2998  -25.7997
            4   C8x C    30.5083  -25.0965
            5   C8y C    30.5083  -23.6971
            6   C8y C    29.2998  -23.0009
            7   C1a C    29.3015  -21.6017
            8   N2b N    31.7217  -23.0019 #+
            9   N1a N    29.3015  -27.1989
            10  O3a O    32.9340  -23.6988
            11  O3a O    31.7227  -21.6025 #-
            12  N2b N    26.8585  -22.9861 #+
            13  O3a O    25.6363  -23.6881
            14  O3a O    26.8615  -21.6166 #-
BOND        14
            1     6   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     8  10 2
            8     4   5 1
            9     8  11 1
            10    5   6 2
            11    6   1 1
            12    1  12 1
            13   12  13 2
            14   12  14 1

» Japanese version

DBGET integrated database retrieval system