KEGG   COMPOUND: C04423
Entry
C04423                      Compound                               
Name
Nicotinamide hypoxanthine dinucleotide
Formula
C21H27N6O15P2
Exact mass
665.101
Mol weight
665.4178
Structure
Other DBs
CAS: 1851-07-6
PubChem: 7055
PDB-CCD: NHD[PDBj]
LinkDB
KCF data

ATOM        44
            1   N4y N    36.9184  -19.0664
            2   C8y C    35.6557  -18.6668
            3   C1y C    36.5824  -21.2849
            4   C8x C    37.6830  -17.9774
            5   C8y C    35.6441  -17.3402
            6   N5x N    34.5030  -19.3444
            7   O2x O    35.4876  -20.4914
            8   C1y C    36.1828  -22.5245
            9   N5x N    36.9010  -16.9347
            10  C8y C    34.4856  -16.6740
            11  C8x C    33.3271  -18.6956
            12  C1y C    34.4102  -21.2617
            13  C1y C    34.8330  -22.5245
            14  O1a O    36.8604  -23.6830
            15  N4x N    33.3271  -17.3518
            16  O5x O    34.4798  -15.3417
            17  C1b C    33.1648  -20.8678
            18  O1a O    34.0743  -23.6076
            19  O2b O    32.0933  -20.7514
            20  P1b P    30.6567  -20.7458
            21  O2c O    28.8668  -20.7514
            22  O1c O    30.6567  -22.2923
            23  O1c O    30.6626  -19.2571
            24  P1b P    27.2102  -20.7458
            25  O2b O    25.7795  -20.7574
            26  O1c O    27.2161  -22.2228
            27  O1c O    27.2102  -19.2571
            28  C1b C    24.3950  -20.8092
            29  C1y C    23.1555  -21.2436
            30  O2x O    22.0549  -20.5024
            31  C1y C    22.7385  -22.5928
            32  C1y C    20.9833  -21.3364
            33  C1y C    21.4293  -22.6222
            34  O1a O    23.5958  -23.7747
            35  N5y N    19.6742  -20.0562 #+
            36  O1a O    20.6880  -23.8038
            37  C8x C    20.6880  -19.3091
            38  C8x C    18.3652  -19.3670
            39  C8y C    20.6937  -17.9710
            40  C8x C    18.3124  -18.1100
            41  C8x C    19.5120  -17.3800
            42  C5a C    21.8796  -17.3093
            43  N1a N    23.0817  -18.0032
            44  O5a O    21.8898  -15.9217
BOND        48
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   29  28 1 #Down
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1 #Up
            36   35  37 1
            37   35  38 2
            38   37  39 2
            39   38  40 1
            40   39  41 1
            41    5   9 1
            42   11  15 1
            43   12  13 1
            44   32  33 1
            45   40  41 2
            46   39  42 1
            47   42  43 1
            48   42  44 2

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