KEGG   COMPOUND: C00493Help
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
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylalanine, tyrosine and tryptophan biosynthesis
Biosynthesis of plant secondary metabolites
Biosynthesis of phenylpropanoids
Biosynthesis of alkaloids derived from shikimate pathway
Biosynthesis of plant hormones
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of amino acids
Module
M00022  
Shikimate pathway, phosphoenolpyruvate + erythrose-4P => chorismate
Enzyme
1.1.1.25        1.1.1.282       1.1.5.8         2.3.1.133       
2.7.1.71        3.1.1.-
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C00493  Shikimate
BRITE hierarchy
Other DBs
CAS: 
138-59-0
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

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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