KEGG   COMPOUND: C00493
Entry
C00493                      Compound                               
Name
Shikimate;
Shikimic acid;
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
Formula
C7H10O5
Exact mass
174.0528
Mol weight
174.1513
Structure
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map00996  Biosynthesis of various alkaloids
map00999  Biosynthesis of various plant secondary metabolites
map01060  Biosynthesis of plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01230  Biosynthesis of amino acids
map01240  Biosynthesis of cofactors
Module
M00022  Shikimate pathway, phosphoenolpyruvate + erythrose-4P => chorismate
Enzyme
1.1.1.24        1.1.1.25        1.1.1.282       1.1.5.8         
2.3.1.133       2.7.1.71        3.1.1.-
Other DBs
CAS: 138-59-0
PubChem: 3776
ChEBI: 16119
KNApSAcK: C00001203
PDB-CCD: SKM[PDBj]
3DMET: B01267
NIKKAJI: J3.267K
LinkDB
KCF data

ATOM        12
            1   C2y C    22.1200  -15.1127
            2   C1x C    23.3375  -15.8112
            3   C2x C    20.9090  -15.8112
            4   C6a C    22.1137  -13.7223
            5   C1y C    23.3375  -17.2208
            6   C1y C    20.9090  -17.2208
            7   O6a O    23.3182  -13.0238
            8   O6a O    20.9025  -13.0301
            9   C1y C    22.1200  -17.9322
            10  O1a O    24.5485  -17.9128
            11  O1a O    19.6978  -17.9128
            12  O1a O    22.1137  -19.3290
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Down
            11    9  12 1 #Down
            12    6   9 1

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