KEGG   COMPOUND: C01718Help
Entry
C01718                      Compound                               

Name
Kynurenine;
3-Anthraniloylalanine
Formula
C10H12N2O3
Exact mass
208.0848
Mol weight
208.2139
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 343-65-7
PubChem: 4855
ChEBI: 28683
ChEMBL: CHEMBL1377927
NIKKAJI: J5.688J
KCF data Show

ATOM        15
            1   C8x C    16.8000  -23.6600
            2   C8x C    16.8000  -25.0600
            3   C8x C    18.0124  -25.7600
            4   C8y C    19.2249  -25.0600
            5   C8y C    19.2249  -23.6600
            6   C8x C    18.0124  -22.9600
            7   C5a C    20.4624  -22.9600
            8   C1b C    21.6749  -23.6600
            9   C1c C    22.8873  -22.9600
            10  C6a C    24.0997  -23.6600
            11  O6a O    25.3122  -22.9600
            12  O5a O    20.4686  -21.5603
            13  O6a O    24.0997  -25.0599
            14  N1a N    20.4560  -25.7710
            15  N1a N    22.8873  -21.5600
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  12 2
            13   10  13 2
            14    4  14 1
            15    9  15 1

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