KEGG   COMPOUND: C16149
Entry
C16149                      Compound                               

Name
(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;
cis-2'-Carboxybenzalpyruvate
Formula
C11H8O5
Exact mass
220.0372
Mol weight
220.1782
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.38      4.1.2.34
Other DBs
PubChem: 47205459
ChEBI: 49222
NIKKAJI: J2.798.388J
LinkDB
KCF data

ATOM        16
            1   C8y C    34.6870  -20.5992
            2   C8x C    33.4959  -21.3675
            3   C2b C    35.9460  -21.3009
            4   C8y C    34.6889  -19.2692
            5   C8x C    32.2369  -20.6658
            6   C2b C    36.0140  -22.7709
            7   C8x C    33.4999  -18.4975
            8   C8x C    32.2389  -19.2658
            9   C5a C    34.7530  -23.4693
            10  C6a C    34.7511  -24.8693
            11  O6a O    33.5601  -25.5676
            12  O5a O    33.4940  -22.7675
            13  O6a O    35.9402  -25.5009
            14  C6a C    35.8799  -18.5008
            15  O6a O    37.1390  -19.2026
            16  O6a O    35.8819  -17.1008
BOND        16
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     7   8 1
            9     6   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 2
            13   10  13 2
            14    4  14 1
            15   14  15 1
            16   14  16 2

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