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
R00688 R00689 R00692 R00694 R00695 R01370 R01371 R01372
R01373 R01374 R01375 R01376 R01377 R01378 R01582 R10431
R10499 R10500 R11068
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
LinkDB
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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