KEGG   COMPOUND: C13745
Entry
C13745                      Compound                               
Name
Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid;
PPADS
Formula
C14H14N3O12PS2
Exact mass
510.9757
Mol weight
511.3776
Structure
Other DBs
CAS: 149017-66-3
PubChem: 586334
ChEBI: 34941
PDB-CCD: UO6[PDBj]
NIKKAJI: J508.318D
LinkDB
KCF data

ATOM        32
            1   C8y C    25.5336  -18.1320
            2   C8y C    24.3072  -17.4280
            3   C8y C    25.5300  -19.5465
            4   C1b C    26.7440  -17.4277
            5   C8y C    23.0967  -18.1259
            6   C4a C    24.3042  -16.0325
            7   N5x N    24.3001  -20.2571
            8   O2b O    27.9512  -17.4315
            9   C8y C    23.0931  -19.5403
            10  O1a O    21.8832  -17.4219
            11  O4a O    25.5149  -15.3285
            12  P1b P    29.3336  -17.4543
            13  C1a C    21.8762  -20.2318
            14  O1c O    30.7289  -17.4578
            15  O1c O    29.3237  -18.6686
            16  O1c O    29.3371  -16.0592
            17  N2b N    26.7443  -20.2606
            18  N2b N    27.9615  -19.5628
            19  C8y C    29.1798  -20.2700
            20  C8x C    30.4016  -19.5686
            21  C8x C    31.6199  -20.2759
            22  C8y C    31.6634  -21.6846
            23  C8x C    30.3949  -22.3860
            24  C8y C    29.1764  -21.6788
            25  S4a S    32.8348  -22.3919
            26  S4a S    27.9548  -22.3802
            27  O1d O    34.0564  -21.6904
            28  O1d O    32.8314  -23.8006
            29  O1d O    34.0373  -23.1146
            30  O1d O    27.9514  -23.7890
            31  O1d O    26.7365  -21.4630
            32  O1d O    26.5055  -23.2184
BOND        33
            1     7   9 2
            2     3  17 1
            3     1   2 1
            4    17  18 2
            5     1   3 2
            6    18  19 1
            7     1   4 1
            8     2   5 2
            9     2   6 1
            10    3   7 1
            11    4   8 1
            12   19  20 2
            13   20  21 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  19 1
            18    5   9 1
            19   22  25 1
            20    5  10 1
            21   24  26 1
            22    6  11 2
            23   25  27 2
            24    8  12 1
            25   25  28 1
            26    9  13 1
            27   25  29 2
            28   12  14 1
            29   26  30 1
            30   12  15 1
            31   26  31 2
            32   12  16 2
            33   26  32 2

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