KEGG   COMPOUND: C19564
Entry
C19564                      Compound                               

Name
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone
Formula
C9H11N3O2
Exact mass
193.0851
Mol weight
193.2025
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Other DBs
PubChem: 124490236
ChEBI: 82562
KCF data

ATOM        14
            1   N5x N    18.0419  -19.7673
            2   C8x C    18.0419  -21.1643
            3   C8x C    19.2517  -21.8628
            4   C8x C    20.4616  -21.1643
            5   C8y C    20.4616  -19.7673
            6   C8x C    19.2517  -19.0688
            7   C5a C    21.6964  -19.0688
            8   C1b C    22.9063  -19.7673
            9   C1b C    24.1161  -19.0688
            10  C1b C    25.3258  -19.7673
            11  N1b N    26.5357  -19.0688
            12  O5a O    21.7026  -17.6721
            13  N2b N    26.5357  -17.6721
            14  O3a O    27.7663  -16.9613
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  12 2
            13   11  13 1
            14   13  14 2

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