KEGG   COMPOUND: C15617Help
Entry
C15617                      Compound                               

Name
Pirinixic acid
Formula
C14H14ClN3O2S
Exact mass
323.0495
Mol weight
323.7979
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 50892-23-4
PubChem: 17396608
ChEBI: 32509
ChEMBL: CHEMBL295416
PDB-CCD: WY1[PDBj]
NIKKAJI: J10.256C
KCF data Show

ATOM        21
            1   O6a O    11.4800  -10.0100
            2   C6a C    12.6924   -9.3100
            3   C1b C    13.9049  -10.0100
            4   S2a S    15.1173   -9.3100
            5   C8y C    16.3297  -10.0100
            6   O6a O    12.6924   -7.9102
            7   N5x N    16.3297  -11.4099
            8   C8y C    17.5422  -12.1099
            9   C8x C    18.7546  -11.4099
            10  C8y C    18.7546  -10.0100
            11  N5x N    17.5422   -9.3100
            12  X   Cl   17.5422  -13.5097
            13  N1b N    19.9711   -9.3077
            14  C8y C    21.1686   -9.9992
            15  C8x C    21.1687  -11.4097
            16  C8x C    22.3811  -12.1096
            17  C8x C    23.5935  -11.4096
            18  C8y C    23.5935   -9.9991
            19  C8y C    22.3810   -9.2992
            20  C1a C    22.3811   -7.9101
            21  C1a C    24.7986   -9.3033
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     5   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    5  11 1
            12    8  12 1
            13   10  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   19  20 1
            22   18  21 1

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