KEGG   COMPOUND: C13051Help
Entry
C13051                      Compound                               

Name
Nicotinic acid adenine dinucleotide phosphate;
Nicotinate-adenine dinucleotide phosphate;
NAADP
Formula
C21H28N6O18P3
Exact mass
745.0673
Mol weight
745.3977
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Calcium signaling pathway
Pancreatic secretion
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    C13051  Nicotinic acid adenine dinucleotide phosphate
BRITE hierarchy
Other DBs
CAS: 
5502-96-5
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C1y C    34.9356  -17.8557
            2   N4y N    35.2765  -15.6331
            3   C1y C    34.5423  -19.0968
            4   O2x O    33.8416  -17.0620
            5   C8y C    34.0064  -15.2325
            6   C8x C    36.0412  -14.5507
            7   C1y C    33.1892  -19.0968
            8   O2b O    35.3244  -20.1731
            9   C1y C    32.7655  -17.8324
            10  C8y C    34.0005  -13.8969
            11  N5x N    32.8540  -15.9086
            12  N5x N    35.2590  -13.4920
            13  O1a O    32.4243  -20.1790
            14  P1b P    35.3186  -21.9967
            15  C1b C    31.5127  -17.4377
            16  C8y C    32.8365  -13.2326
            17  C8x C    31.6773  -15.2618
            18  O1c O    35.3303  -23.5903
            19  O1c O    36.6821  -22.0026
            20  O1c O    33.9888  -21.9967
            21  O2b O    30.4364  -17.3912
            22  N5x N    31.6773  -13.9157
            23  N1a N    32.8237  -11.9041
            24  P1b P    29.0015  -17.3853
            25  O2c O    27.2071  -17.3853
            26  O1c O    29.0015  -18.9381
            27  O1c O    29.0074  -15.8910
            28  P1b P    25.5492  -17.3853
            29  O2b O    24.1074  -17.3912
            30  O1c O    25.5551  -18.8738
            31  O1c O    25.5492  -15.8910
            32  C1b C    22.7251  -17.3795
            33  C1y C    21.4783  -17.8149
            34  O2x O    20.3784  -17.0795
            35  C1y C    21.1374  -19.1669
            36  C1y C    19.3081  -17.9083
            37  C1y C    19.7552  -19.1972
            38  O1a O    21.9196  -20.1498
            39  N5y N    17.9911  -16.6264 #+
            40  O1a O    19.0079  -20.2374
            41  C8x C    19.0079  -15.8735
            42  C8x C    16.7245  -15.9329
            43  C8y C    19.0138  -14.5390
            44  C8x C    16.7219  -14.6732
            45  C8x C    17.8324  -13.9391
            46  C6a C    20.1324  -13.8035
            47  O6a O    20.1265  -12.6210
            48  O6a O    21.3136  -14.4036
BOND        52
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1 #Down
            13    8  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 2
            17   14  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 2
            22   16  23 1
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   33  32 1 #Down
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Up
            38   36  39 1 #Down
            39   37  40 1 #Up
            40   39  41 2
            41   39  42 1
            42   41  43 1
            43   42  44 2
            44   43  45 2
            45   43  46 1
            46   46  47 1
            47   46  48 2
            48    7   9 1
            49   10  12 1
            50   17  22 1
            51   36  37 1
            52   44  45 1

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