KEGG   COMPOUND: C20327Help
Entry
C20327                      Compound                               

Name
2-Oxo-4-phenylbutyric acid;
2-Oxo-4-phenylbutanoic acid;
2-Oxo-4-phenylbutanoate
Formula
C10H10O3
Exact mass
178.063
Mol weight
178.1846
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map01100  Metabolic pathways
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.1.1.-         2.6.1.-
Other DBs
CAS: 710-11-2
PubChem: 163312065
ChEMBL: CHEMBL16281
KCF data Show

ATOM        13
            1   C8y C    24.1775  -10.4894
            2   C8x C    24.1775  -11.8874
            3   C8x C    25.4357  -12.5864
            4   C8x C    26.6241  -11.8874
            5   C8x C    26.6241  -10.4894
            6   C8x C    25.4357   -9.7904
            7   C1b C    22.9893   -9.7904
            8   C1b C    22.9893   -8.3924
            9   C5a C    21.8010   -7.6934
            10  C6a C    20.5428   -8.4623
            11  O6a O    19.3544   -7.7633
            12  O6a O    20.5428   -9.8603
            13  O5a O    21.7891   -6.3062
BOND        13
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   10  12 1
            13    9  13 2

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