KEGG   COMPOUND: C11006
Entry
C11006                      Compound                               
Name
2,4-Dinitrotoluene;
2,4-DNT
Formula
C7H6N2O4
Exact mass
182.0328
Mol weight
182.13
Structure
Reaction
R09231 R09232 R09233 R09241 R09242
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.7.1.-         1.14.12.24
Other DBs
CAS: 121-14-2
PubChem: 13189
ChEBI: 920
NIKKAJI: J2.922J
LinkDB
KCF data

ATOM        13
            1   C8x C    26.4215  -15.8718
            2   C8x C    26.4215  -17.2721
            3   C8y C    27.6381  -17.9757
            4   C8x C    28.8473  -17.2721
            5   C8y C    28.8473  -15.8718
            6   C8y C    27.6381  -15.1752
            7   C1a C    27.6398  -13.7751
            8   N2b N    30.0615  -15.1762 #+
            9   N2b N    27.6398  -19.3758 #+
            10  O3a O    31.2745  -15.8736
            11  O3a O    30.0625  -13.7759 #-
            12  O3a O    26.4271  -20.0739
            13  O3a O    28.8543  -20.0709 #-
BOND        13
            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    9  12 2
            12    6   1 1
            13    9  13 1

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