KEGG   COMPOUND: C07585
Entry
C07585                      Compound                               

Name
N-Acetylisoniazid;
(N)1-Acetylisoniazid
Formula
C8H9N3O2
Exact mass
179.0695
Mol weight
179.176
Structure
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
2.3.1.5         3.1.1.1         3.5.1.-
Other DBs
CAS: 1078-38-2
PubChem: 9787
ChEBI: 7207
ChEMBL: CHEMBL1442231
NIKKAJI: J12.173H
KCF data

ATOM        13
            1   C8y C    23.1881  -16.8524
            2   C5a C    24.3309  -17.5521
            3   C8x C    21.8821  -17.5171
            4   C8x C    23.1531  -15.4474
            5   N1b N    25.5378  -16.8583
            6   O5a O    24.3309  -18.9514
            7   C8x C    20.6869  -16.7824
            8   C8x C    21.9579  -14.7184
            9   N1b N    26.7505  -17.5521
            10  N5x N    20.7276  -15.3890
            11  C5a C    27.9690  -16.8583
            12  C1a C    29.1817  -17.5521
            13  O5a O    27.9690  -15.4531
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 2
            10    9  11 1
            11   11  12 1
            12   11  13 2
            13    8  10 1

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