KEGG   COMPOUND: C00166
Entry
C00166                      Compound                               
Name
Phenylpyruvate;
Phenylpyruvic acid;
alpha-Ketohydrocinnamic acid;
keto-Phenylpyruvate;
3-Phenyl-2-oxopropanoate;
2-Oxo-3-phenylpropanoate
Formula
C9H8O3
Exact mass
164.0473
Mol weight
164.158
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map00470  D-Amino acid metabolism
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00024  Phenylalanine biosynthesis, chorismate => phenylpyruvate => phenylalanine
Enzyme
1.1.1.110       1.1.1.237       1.4.1.20        1.4.3.2         
1.4.5.1         1.13.11.27      2.1.1.281       2.3.3.-         
2.6.1.1         2.6.1.5         2.6.1.9         2.6.1.21        
2.6.1.28        2.6.1.57        2.6.1.58        2.6.1.64        
2.6.1.70        2.6.1.-         4.1.1.43        4.1.1.-         
4.2.1.51        4.2.1.91        5.3.2.1
Other DBs
CAS: 156-06-9
PubChem: 3466
ChEBI: 18005 30851
KNApSAcK: C00000751
PDB-CCD: PPY[PDBj]
3DMET: B00048
NIKKAJI: J11.025F
KCF data

ATOM        12
            1   C8y C    29.2506  -17.9882
            2   C8x C    29.2633  -19.3809
            3   C8x C    30.4624  -17.2686
            4   C8x C    30.4894  -20.0769
            5   C8x C    31.6885  -17.9647
            6   C8x C    31.7029  -19.3803
            7   C1b C    28.0476  -17.2900
            8   C5a C    26.8351  -17.9900
            9   C6a C    25.6227  -17.2900
            10  O6a O    24.4103  -17.9900
            11  O5a O    26.8351  -19.3898
            12  O6a O    25.6227  -15.8900
BOND        12
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 2
            12    9  12 2

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