KEGG   COMPOUND: C02637
Entry
C02637                      Compound                               
Name
3-Dehydroshikimate
Formula
C7H8O5
Exact mass
172.0372
Mol weight
172.14
Structure
Comment
formerly called "5-Dehydroshikimate" on old nomenclature system of numbering
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map00999  Biosynthesis of various plant secondary metabolites
map01053  Biosynthesis of siderophore group nonribosomal peptides
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
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         
4.2.1.10        4.2.1.118
Other DBs
PubChem: 5617
ChEBI: 16630 30918
KNApSAcK: C00019663
PDB-CCD: 3DS[PDBj]
NIKKAJI: J412.314J
LinkDB
KCF data

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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