KEGG   COMPOUND: C00166Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map00360  Phenylalanine metabolism
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00024  Phenylalanine biosynthesis, chorismate => phenylalanine
Enzyme
1.1.1.222       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
ChEMBL: CHEMBL1162488
KNApSAcK: C00000751
PDB-CCD: PPY[PDBj]
3DMET: B00048
NIKKAJI: J11.025F
LinkDB All DBs
KCF data Show

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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