KEGG   COMPOUND: C01717
Entry
C01717                      Compound                               
Name
4-Hydroxy-2-quinolinecarboxylic acid;
Kynurenic acid;
Kynurenate
Formula
C10H7NO3
Exact mass
189.0426
Mol weight
189.17
Structure
Reaction
R03439 R03440 R03441 R03445 R03687 R12688 R12692
Pathway
map00380  Tryptophan metabolism
map01100  Metabolic pathways
Network
nt06227  Nuclear receptor signaling (cancer)
nt06360  Cushing syndrome
Enzyme
1.3.99.18       1.14.99.2       2.6.1.7         2.6.1.63
Other DBs
CAS: 492-27-3
PubChem: 4854
ChEBI: 18344
KNApSAcK: C00026453 C00026494
PDB-CCD: KYA[PDBj]
NIKKAJI: J6.059C
LinkDB
KCF data

ATOM        14
            1   C8y C    23.6193  -16.8059
            2   C8y C    23.6136  -18.2056
            3   N5x N    24.8382  -16.1061
            4   C8x C    22.4064  -16.1004
            5   C8y C    24.8266  -18.9055
            6   C8x C    22.4064  -18.9055
            7   C8y C    26.0514  -16.8119
            8   C8x C    21.1875  -16.8059
            9   C8x C    26.0397  -18.2173
            10  O1a O    24.8208  -20.3051
            11  C8x C    21.1875  -18.2056
            12  C6a C    27.2586  -16.1237
            13  O6a O    28.4656  -16.8235
            14  O6a O    27.2002  -14.7298
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   12  13 1
            13   12  14 2
            14    7   9 1
            15    8  11 1

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