KEGG   COMPOUND: C16621
Entry
C16621                      Compound                               
Name
1-Methyl-4-nitroimidazole
Formula
C4H5N3O2
Exact mass
127.0382
Mol weight
127.1014
Structure
Reaction
R08234
Pathway
map00983  Drug metabolism - other enzymes
Other DBs
CAS: 3034-41-1
PubChem: 51090947
ChEBI: 80615
NIKKAJI: J86.858B
LinkDB
KCF data

ATOM        9
            1   C8x C    25.0019  -19.4718
            2   C8y C    25.0019  -18.0710
            3   O3a O    27.4533  -18.0710 #-
            4   N2b N    26.1926  -17.3706 #+
            5   N5x N    23.6711  -17.6508
            6   C8x C    22.8307  -18.7714
            7   N4y N    23.6711  -19.8921
            8   O3a O    26.1926  -15.9698
            9   C1a C    22.4580  -20.5925
BOND        9
            1     1   2 2
            2     3   4 1
            3     2   4 1
            4     2   5 1
            5     5   6 2
            6     6   7 1
            7     1   7 1
            8     4   8 2
            9     7   9 1

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