KEGG   COMPOUND: C07114Help
Entry
C07114                      Compound                               

Name
3-Oxo-3-phenylpropanoate;
Benzoylacetate;
3-Oxo-3-phenylpropionate;
3-Oxo-3-phenylpropionic acid
Formula
C9H8O3
Exact mass
164.0473
Mol weight
164.158
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00642  Ethylbenzene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
6.2.1.-         6.4.1.8
Other DBs
CAS: 29285-17-4 614-20-0
PubChem: 9325
ChEBI: 28759
ChEMBL: CHEMBL3546292
3DMET: B01073
NIKKAJI: J2.764.895I
KCF data Show

ATOM        12
            1   C8x C    17.7800  -19.6700
            2   C8x C    17.7800  -21.0700
            3   C8x C    18.9924  -21.7700
            4   C8x C    20.2049  -21.0700
            5   C8y C    20.2049  -19.6700
            6   C8x C    18.9924  -18.9700
            7   C5a C    21.4424  -18.9700
            8   C1b C    22.6549  -19.6700
            9   C6a C    23.8673  -18.9700
            10  O6a O    25.0797  -19.6700
            11  O5a O    21.4486  -17.5703
            12  O6a O    23.8673  -17.5700
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    9  12 2

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