KEGG   COMPOUND: C00254
Entry
C00254                      Compound                               

Name
Prephenate;
Prephenic acid
Formula
C10H10O6
Exact mass
226.0477
Mol weight
226.1828
Structure
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map00401  Novobiocin biosynthesis
map00998  Biosynthesis of various secondary metabolites - part 2
map01060  Biosynthesis of plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01230  Biosynthesis of amino acids
Module
M00024  Phenylalanine biosynthesis, chorismate => phenylpyruvate => phenylalanine
M00025  Tyrosine biosynthesis, chorismate => HPP => tyrosine
M00040  Tyrosine biosynthesis, chorismate => arogenate => tyrosine
M00787  Bacilysin biosynthesis, prephenate => bacilysin
M00910  Phenylalanine biosynthesis, chorismate => arogenate => phenylalanine
Enzyme
1.3.1.12        1.3.1.13        2.6.1.57        2.6.1.78        
2.6.1.79        4.1.1.100       4.2.1.51        4.2.1.91        
5.4.99.5
Other DBs
CAS: 126-49-8
PubChem: 3553
ChEBI: 29934 84387
KNApSAcK: C00019632
PDB-CCD: PRE[PDBj]
3DMET: B00074
NIKKAJI: J38.009A
KCF data

ATOM        16
            1   C1z C    26.1055  -17.5787
            2   C1b C    27.2899  -16.8782
            3   C2x C    24.9082  -18.2665
            4   C2x C    27.3220  -18.2665
            5   C6a C    24.8954  -16.8845
            6   C5a C    28.5001  -17.5595
            7   C2x C    24.9082  -19.6676
            8   C2x C    27.3220  -19.6676
            9   O6a O    24.8954  -15.4961
            10  O6a O    23.6980  -17.5787
            11  C6a C    29.6910  -16.8527
            12  O5a O    28.5128  -19.0111
            13  C1y C    26.1055  -20.3746
            14  O6a O    30.8948  -17.5340
            15  O6a O    29.6720  -15.5336
            16  O1a O    26.1007  -21.7700
BOND        16
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   11  15 2
            15    8  13 1
            16   13  16 1 #Down

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