KEGG   DRUG: NadideHelp
Entry
D00002                      Drug                                   

Name
Nadide (JAN/USAN/INN);
Nicotinamide adenine dinucleotide
Formula
C21H28N7O14P2
Exact mass
664.1169
Mol weight
664.433
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00003
ATC code: A11HA01
Chemical structure group: DG00127
Product (DG00127): D00036<JP>
Efficacy
Coenzyme
Comment
Antagonist (to alcohol and narcotics)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11H OTHER PLAIN VITAMIN PREPARATIONS
    A11HA Other plain vitamin preparations
     A11HA01 Nicotinamide
      D00002  Nadide (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 53-84-9
PubChem: 7847070
ChEBI: 15846
ChEMBL: CHEMBL1234613 CHEMBL1454168
DrugBank: DB01907
PDB-CCD: NAD[PDBj] NAJ[PDBj]
LigandBox: D00002
NIKKAJI: J136.554A
LinkDB All DBs
KCF data Show

ATOM        44
            1   C1y C    15.6100   -9.9400
            2   C1y C    17.0100   -9.9400
            3   C1y C    17.4426   -8.6085
            4   O2x O    16.3100   -7.7856
            5   C1y C    15.1774   -8.6085
            6   O1a O    14.7871  -11.0726
            7   O1a O    17.8329  -11.0726
            8   C1b C    18.7622   -8.1797
            9   N5y N    13.8578   -6.4997 #+
            10  O2b O    20.1622   -8.1797
            11  P1b P    21.5622   -8.1797
            12  O2c O    22.9622   -8.1797
            13  P1b P    24.3622   -8.1797
            14  O2b O    25.7622   -8.1797
            15  O1c O    21.5622   -6.7900
            16  O1c O    24.3622   -6.7900
            17  O1c O    21.5623   -9.5900
            18  O1c O    24.3623   -9.5900
            19  C8x C    15.0702   -5.7997
            20  C8y C    15.0702   -4.3997
            21  C8x C    13.8578   -3.6997
            22  C8x C    12.6453   -4.3997
            23  C8x C    12.6453   -5.7997
            24  C5a C    16.2630   -3.7110
            25  N1a N    17.4576   -4.4009
            26  O5a O    16.2631   -2.3102
            27  C1y C    28.6362   -8.8389
            28  C1y C    29.0799  -10.1666
            29  C1y C    30.4799  -10.1561
            30  C1y C    30.9025   -8.8214
            31  O2x O    29.7637   -8.0071
            32  C1b C    27.1504   -8.2033
            33  N4y N    32.2017   -6.7081
            34  O1a O    28.2641  -11.3086
            35  O1a O    31.2975  -11.2643
            36  C8x C    33.0424   -5.5879
            37  N5x N    32.2360   -4.4434
            38  C8y C    30.8984   -4.8566
            39  C8y C    30.8781   -6.2565
            40  C8y C    29.6963   -4.1391
            41  N5x N    28.4038   -4.8214
            42  C8x C    28.4534   -6.2213
            43  N5x N    29.6556   -6.9388
            44  N1a N    29.6632   -2.7310
BOND        48
            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 2
            20   19  20 1
            21   20  21 2
            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

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