KEGG   COMPOUND: C06435Help
Entry
C06435                      Compound                               

Name
5'-Butyrylphosphoinosine;
Inosine 5'-phosphobutyrate
Formula
C14H19N4O9P
Exact mass
418.089
Mol weight
418.2958
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   N4y N    31.2733  -16.9909
            2   C8y C    29.9704  -16.5762
            3   C1y C    30.3911  -18.8896
            4   C8x C    32.0796  -15.8927
            5   C8y C    29.9704  -15.1974
            6   N5x N    28.7787  -17.2655
            7   O2x O    29.2870  -18.1010
            8   C1y C    29.9704  -20.1984
            9   N5x N    31.2792  -14.7710
            10  C8y C    28.7787  -14.5197
            11  C8x C    27.6045  -16.5762
            12  C1y C    28.1886  -18.8896
            13  C1y C    28.5976  -20.1984
            14  O1a O    30.7767  -21.2966
            15  N4x N    27.6045  -15.1974
            16  O5x O    28.7728  -13.1586
            17  C1b C    26.9034  -18.4632
            18  O1a O    27.8030  -21.2909
            19  O2b O    25.8868  -19.3745
            20  P1b P    24.4906  -19.3745
            21  O7a O    23.0942  -19.3745
            22  O1c O    24.4847  -20.7709
            23  O1c O    24.4847  -17.9783
            24  C7a C    21.8849  -18.6735
            25  C1b C    20.6756  -19.3745
            26  O6a O    21.8849  -17.2772
            27  C1b C    19.4662  -18.6735
            28  C1a C    18.2511  -19.3745
BOND        30
            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 2
            26   25  27 1
            27   27  28 1
            28    5   9 1
            29   11  15 1
            30   12  13 1

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