KEGG   COMPOUND: C19567Help
Entry
C19567                      Compound                               

Name
4-Oxo-1-(3-pyridyl)-1-butanone;
gamma-Oxo-3-pyridinebutanal;
4-Oxo-4-(pyridin-3-yl)butanal;
3-Succinoylsemialdehyde-pyridine
Formula
C9H9NO2
Exact mass
163.0633
Mol weight
163.1733
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00760  Nicotinate and nicotinamide metabolism
map00980  Metabolism of xenobiotics by cytochrome P450
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map05204  Chemical carcinogenesis
Module
M00811  Nicotine degradation, pyrrolidine pathway, nicotine => succinate semialdehyde
Enzyme
1.2.1.83        1.4.3.24
Other DBs
CAS: 76014-80-7
PubChem: 124490239
ChEBI: 66879
LinkDB All DBs
KCF data Show

ATOM        12
            1   N5x N    18.0638  -19.7213
            2   C8x C    18.0638  -21.1200
            3   C8x C    19.2751  -21.8194
            4   C8x C    20.4865  -21.1200
            5   C8y C    20.4865  -19.7213
            6   C8x C    19.2751  -19.0220
            7   C5a C    21.7228  -19.0220
            8   C1b C    22.9342  -19.7213
            9   C1b C    24.1454  -19.0220
            10  C4a C    25.3566  -19.7213
            11  O5a O    21.7290  -17.6236
            12  O4a O    25.3569  -21.0956
BOND        12
            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    7  11 2
            12   10  12 2

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