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 search
Reaction
Pathway
map04020  Calcium signaling pathway
map04921  Oxytocin signaling pathway
map04970  Salivary secretion
map04972  Pancreatic secretion
Enzyme
Other DBs
CAS: 119340-53-3
PubChem: 583439
ChEBI: 31445
ChEMBL: CHEMBL2369151
NIKKAJI: J626.674F
LinkDB All DBs
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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