KEGG   COMPOUND: C02637Help
Entry
C02637                      Compound                               

Name
3-Dehydroshikimate
Formula
C7H8O5
Exact mass
172.0372
Mol weight
172.1354
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
formerly called "5-Dehydroshikimate" on old nomenclature system of numbering
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
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         4.2.1.10        
4.2.1.118
Other DBs
PubChem: 5617
ChEBI: 16630 30918
KNApSAcK: C00019663
PDB-CCD: 3DS[PDBj]
3DMET: B01592
NIKKAJI: J412.314J
KCF data Show

ATOM        12
            1   C2y C    18.4100  -13.7127
            2   C1x C    19.6275  -14.4112
            3   C2x C    17.1990  -14.4112
            4   C6a C    18.4037  -12.3223
            5   C1y C    19.6275  -15.8208
            6   C5x C    17.1990  -15.8208
            7   O6a O    19.6082  -11.6238
            8   O6a O    17.1925  -11.6301
            9   C1y C    18.4100  -16.5322
            10  O1a O    20.8385  -16.5128
            11  O5x O    15.9878  -16.5128
            12  O1a O    18.4037  -17.9290
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 2
            11    9  12 1 #Down
            12    6   9 1

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