KEGG   COMPOUND: C21759
Entry
C21759                      Compound                               
Name
Isonicotinoyl-NAD adduct;
INH-NAD adduct
Formula
C27H32N8O15P2
Exact mass
770.1462
Mol weight
770.5351
Structure
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Other DBs
PubChem: 354264353
LinkDB
KCF data

ATOM        52
            1   C1y C    12.9081  -20.6222
            2   C1y C    14.3062  -20.6222
            3   C1y C    14.7257  -19.3639
            4   O2x O    13.6072  -18.5250
            5   C1y C    12.4887  -19.3639
            6   O1a O    12.1391  -21.7407
            7   O1a O    15.0752  -21.7407
            8   C1b C    15.9839  -18.9445
            9   N1y N    11.2304  -17.3366
            10  O2b O    17.3121  -18.9445
            11  P1b P    18.7102  -18.9445
            12  O2c O    20.0384  -18.9445
            13  P1b P    21.3666  -18.9445
            14  O2b O    22.6948  -18.9445
            15  O1c O    18.7102  -17.6163
            16  O1c O    21.3666  -17.6163
            17  O1c O    18.7102  -20.2727
            18  O1c O    21.3666  -20.2727
            19  C2x C    12.4188  -16.6376
            20  C2y C    12.4188  -15.3094
            21  C1y C    11.2304  -14.6103
            22  C2x C    10.0420  -15.3094
            23  C2x C    10.0420  -16.6376
            24  C5a C    13.5372  -14.6103
            25  N1a N    14.7257  -15.3094
            26  O5a O    13.5372  -13.2821
            27  C1y C    25.4911  -19.5736
            28  C1y C    25.9105  -20.8319
            29  C1y C    27.3086  -20.8319
            30  C1y C    27.6581  -19.5736
            31  O2x O    26.6096  -18.7348
            32  C1b C    24.0930  -18.9445
            33  N4y N    28.9164  -17.5464
            34  O1a O    25.1416  -21.9504
            35  O1a O    28.0775  -21.8805
            36  C8x C    29.7553  -16.4279
            37  N5x N    28.9864  -15.3094
            38  C8y C    27.6581  -15.7288
            39  C8y C    27.6581  -17.0571
            40  C8y C    26.5396  -15.0298
            41  N5x N    25.2814  -15.7288
            42  C8x C    25.2814  -17.0571
            43  N5x N    26.4698  -17.7561
            44  N1a N    26.5396  -13.7016
            45  C5a C    11.2299  -13.2373
            46  C8y C     9.9985  -12.5268
            47  O5a O    12.4249  -12.5468
            48  C8x C     9.9984  -11.1359
            49  C8x C     8.7851  -10.4357
            50  N5x N     7.5721  -11.1362
            51  C8x C     7.5723  -12.5271
            52  C8x C     8.7855  -13.2273
BOND        57
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Up
            7     2   7 1 #Up
            8     3   8 1 #Down
            9     5   9 1 #Down
            10    8  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   11  15 2
            16   13  16 2
            17   11  17 1
            18   13  18 1
            19    9  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 1
            23   22  23 2
            24    9  23 1
            25   20  24 1
            26   24  25 1
            27   24  26 2
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   27  31 1
            33   27  32 1 #Up
            34   14  32 1
            35   30  33 1 #Up
            36   28  34 1 #Down
            37   29  35 1 #Down
            38   33  36 1
            39   36  37 2
            40   37  38 1
            41   38  39 1
            42   33  39 1
            43   38  40 2
            44   40  41 1
            45   41  42 2
            46   42  43 1
            47   39  43 2
            48   40  44 1
            49   21  45 1
            50   45  46 1
            51   45  47 2
            52   46  48 2
            53   48  49 1
            54   49  50 2
            55   50  51 1
            56   51  52 2
            57   46  52 1

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