KEGG   COMPOUND: C00944Help
Entry
C00944                      Compound                               

Name
3-Dehydroquinate;
3-Dehydroquinic acid;
5-Dehydroquinate;
5-Dehydroquinic acid
Formula
C7H10O6
Exact mass
190.0477
Mol weight
190.1507
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
formerly called "5-Dehydroquinate" on old nomenclature system of numbering
Reaction
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
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
1.1.1.24        1.1.1.282       1.1.5.8         1.4.1.24        
4.2.1.10        4.2.3.4
Other DBs
PubChem: 4196
ChEBI: 17947 32364
KNApSAcK: C00019664
PDB-CCD: DQA[PDBj]
3DMET: B01356
NIKKAJI: J93.942K
KCF data Show

ATOM        13
            1   C1z C    22.7778  -17.0108
            2   C6a C    24.0782  -17.4380
            3   C1x C    21.5779  -17.7144
            4   C1x C    22.7778  -15.6352
            5   O1a O    22.7339  -18.8148
            6   O6a O    24.9147  -18.9161
            7   O6a O    25.0896  -16.5210
            8   C1y C    20.3969  -17.0172
            9   C5x C    21.5717  -14.9566
            10  C1y C    20.3969  -15.6352
            11  O1a O    19.2096  -17.8293
            12  O5x O    21.5717  -13.8671
            13  O1a O    19.2096  -14.9504
BOND        13
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     8  10 1
            10    8  11 1 #Up
            11    9  12 2
            12   10  13 1 #Down
            13    9  10 1

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