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 search
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
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
map01130  Biosynthesis of antibiotics
map01230  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: 3776
ChEBI: 16119
ChEMBL: CHEMBL290345 CHEMBL3348832
KNApSAcK: C00001203
PDB-CCD: SKM[PDBj]
3DMET: B01267
NIKKAJI: J3.267K
LinkDB All DBs
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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