KEGG   COMPOUND: C00857Help
Entry
C00857                      Compound                               

Name
Deamino-NAD+;
Deamido-NAD+;
Deamido-NAD
Formula
C21H27N6O15P2
Exact mass
665.101
Mol weight
665.4178
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Nicotinate and nicotinamide metabolism
Metabolic pathways
Module
M00115  
NAD biosynthesis, aspartate => NAD
Enzyme
2.7.7.1         2.7.7.18        3.6.1.9         3.6.1.22        
6.3.1.5         6.3.5.1
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
KCF data Show

ATOM        44
            1   N4y N    31.3662  -15.7713
            2   C8y C    30.0919  -15.3680
            3   C1y C    31.0214  -18.0103
            4   C8x C    32.1320  -14.6782
            5   C8y C    30.0802  -14.0350
            6   N5x N    28.9169  -16.0519
            7   O2x O    29.9224  -17.2094
            8   C1y C    30.6239  -19.2672
            9   N5x N    31.3488  -13.6200
            10  C8y C    28.9052  -13.3569
            11  C8x C    27.7419  -15.3972
            12  C1y C    28.8350  -17.9869
            13  C1y C    29.2617  -19.2672
            14  O1a O    31.4130  -20.3543
            15  N5x N    27.7359  -14.0409
            16  N1a N    28.8993  -12.0883
            17  C1b C    27.3624  -17.5193
            18  O1a O    28.4842  -20.3543
            19  O2b O    26.2809  -17.4725
            20  P1b P    24.7669  -17.4668
            21  O2c O    22.9606  -17.4725
            22  O1c O    24.7669  -19.0334
            23  O1c O    24.7669  -15.9702
            24  P1b P    21.2829  -17.4668
            25  O2b O    19.8389  -17.4785
            26  O1c O    21.2887  -18.9574
            27  O1c O    21.2829  -15.9644
            28  C1b C    18.5118  -17.5309
            29  C1y C    17.2666  -17.9693
            30  O2x O    16.1501  -17.2269
            31  C1y C    16.9101  -19.3314
            32  C1y C    15.0744  -18.0628
            33  C1y C    15.5245  -19.3665
            34  O1a O    17.7109  -20.3252
            35  N5y N    13.7475  -16.7709 #+
            36  O1a O    14.7705  -20.4188
            37  C8x C    14.7764  -16.0168
            38  C8x C    12.4673  -16.0693
            39  C8y C    14.7822  -14.6665
            40  C8x C    12.4496  -14.8067
            41  C8x C    13.5838  -14.0701
            42  C6a C    15.8987  -13.9299
            43  O6a O    15.8987  -12.7373
            44  O6a O    17.0971  -14.5319
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 2
            15   10  16 1
            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   39  42 1
            42   42  43 1
            43   42  44 2
            44    5   9 1
            45   11  15 1
            46   12  13 1
            47   32  33 1
            48   40  41 2

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