KEGG   COMPOUND: C00296
Entry
C00296                      Compound                               
Name
Quinate;
Quinic acid;
Kinic acid;
Chinic acid;
L-Quinic acid;
L-Quinate;
(-)-Quinic acid
Formula
C7H12O6
Exact mass
192.0634
Mol weight
192.1666
Structure
Reaction
R01872 R01873 R01945 R02195 R02997 R02998 R06846 R07432
R09322
Pathway
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map01100  Metabolic pathways
Enzyme
1.1.1.24        1.1.1.282       1.1.5.8         2.3.1.98        
2.3.1.99        2.3.1.133       3.1.1.42
Other DBs
CAS: 77-95-2
PubChem: 3590
ChEBI: 17521 29751
KNApSAcK: C00001201
PDB-CCD: QIC[PDBj]
3DMET: B01209
NIKKAJI: J9.262B
LinkDB
KCF data

ATOM        13
            1   C1z C    22.1753  -15.3061
            2   C6a C    22.8646  -14.0951
            3   C1x C    23.3863  -16.0082
            4   C1x C    20.9646  -16.0082
            5   O1a O    21.2505  -14.1651
            6   O6a O    24.2623  -14.0951
            7   O6a O    22.1561  -12.8779
            8   C1y C    23.3863  -17.4057
            9   C1y C    20.9646  -17.4057
            10  C1y C    22.1753  -18.1079
            11  O1a O    24.6607  -18.1779
            12  O1a O    19.7471  -18.1015
            13  O1a O    22.1625  -19.5819
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 1 #Down
            12   10  13 1 #Down
            13    9  10 1

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