KEGG   COMPOUND: C19574Help
Entry
C19574                      Compound                               

Name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;
NNAL
Formula
C10H15N3O2
Exact mass
209.1164
Mol weight
209.245
Structure
Mol fileKCF fileDB search
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        1.14.13.-       
1.14.14.1       2.4.1.17
Other DBs
CAS: 76014-81-8
PubChem: 124490246
ChEBI: 82569
KCF data Show

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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