KEGG   COMPOUND: C13050Help
Entry
C13050                      Compound                               

Name
Cyclic ADP-ribose;
cADPR
Formula
C15H21N5O13P2
Exact mass
541.0611
Mol weight
541.3005
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Calcium signaling pathway
Oxytocin signaling pathway
Salivary secretion
Pancreatic secretion
Enzyme
Other DBs
CAS: 
119340-53-3
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   N4y N    25.6477  -19.2631
            2   C8y C    25.3969  -18.0359
            3   C1y C    24.3554  -21.0091
            4   C8x C    26.8928  -19.3965
            5   C8y C    26.4842  -17.4216
            6   N5x N    24.3034  -17.3967
            7   O2x O    23.3178  -20.2636
            8   C1y C    23.9769  -22.1870
            9   N5x N    27.4038  -18.2650
            10  C8y C    26.4342  -16.1529
            11  C8x C    24.3002  -16.1415
            12  C1y C    22.3106  -20.9857
            13  C1y C    22.7066  -22.1870
            14  O1a O    24.7166  -23.1942
            15  N4y N    25.4108  -15.5140
            16  N2a N    27.5874  -15.5440
            17  C1x C    20.7809  -21.0001
            18  O1a O    21.9834  -23.1942
            19  O2x O    18.9653  -20.1953
            20  P1b P    18.9616  -18.8434
            21  O2x O    18.9436  -17.1467
            22  O1c O    17.4985  -18.8537
            23  O1c O    20.3603  -18.8335
            24  P1b P    18.9385  -15.5853
            25  O2x O    18.9873  -14.2393
            26  O1c O    17.5396  -15.6013
            27  O1c O    20.3432  -15.5755
            28  C1x C    20.4331  -13.4078
            29  C1y C    22.1135  -13.4764
            30  O2x O    23.1523  -14.1780
            31  C1y C    22.4485  -12.2028
            32  C1y C    24.1662  -13.3973
            33  C1y C    23.7422  -12.1826
            34  O1a O    21.7153  -11.2768
            35  O1a O    24.4609  -11.2026
BOND        39
            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   33  35 1 #Up
            35    5   9 1
            36   11  15 1
            37   12  13 1
            38   32  33 1
            39   32  15 1 #Down

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