KEGG   COMPOUND: C19577Help
Entry
C19577                      Compound                               

Name
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol
Formula
C10H15N3O3
Exact mass
225.1113
Mol weight
225.2444
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.14.13.-       1.14.14.1
Other DBs
PubChem: 124490249
ChEBI: 82571
KCF data Show

ATOM        16
            1   N5x N    18.0417  -19.7671
            2   C8x C    18.0417  -21.1641
            3   C8x C    19.2515  -21.8626
            4   C8x C    20.4614  -21.1641
            5   C8y C    20.4614  -19.7671
            6   C8x C    19.2515  -19.0686
            7   C1c C    21.6962  -19.0686
            8   C1b C    22.9061  -19.7671
            9   C1b C    24.1159  -19.0686
            10  C1c C    25.3256  -19.7671
            11  N1c N    26.5355  -19.0686
            12  C1a C    27.7453  -19.7671
            13  O1a O    21.7024  -17.6719
            14  N2b N    26.5355  -17.6719
            15  O3a O    27.7661  -16.9612
            16  O1a O    25.3258  -21.1399
BOND        16
            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
            16   10  16 1

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