KEGG   COMPOUND: C19574
Entry
C19574                      Compound                               

Name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;
NNAL
Formula
C10H15N3O2
Exact mass
209.1164
Mol weight
209.245
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.1.1.146       1.1.1.184       1.3.1.20        1.14.14.1       
1.14.14.-       2.4.1.17
Other DBs
CAS: 76014-81-8
PubChem: 124490246
ChEBI: 82569
KCF data

ATOM        15
            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   C1c 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  N1c N    26.5357  -19.0688
            12  C1a C    27.7455  -19.7673
            13  O1a O    21.7026  -17.6721
            14  N2b N    26.5357  -17.6721
            15  O3a O    27.7663  -16.9613
BOND        15
            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   11  12 1
            13    7  13 1
            14   11  14 1
            15   14  15 2

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