KEGG   COMPOUND: C20884
Entry
C20884                      Compound                               

Name
(3,4-Dihydroxybenzoyl)adenylate
Formula
C17H18N5O10P
Exact mass
483.0791
Mol weight
483.3261
Structure
Reaction
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
Enzyme
Other DBs
PubChem: 405226292
KCF data

ATOM        33
            1   N4y N    26.8560  -15.2368
            2   C8y C    27.9290  -15.9775
            3   C1y C    25.5731  -15.6567
            4   C8x C    27.3400  -13.8372
            5   C8y C    29.1653  -15.0676
            6   N5x N    28.0631  -17.4002
            7   O2x O    24.4301  -14.7994
            8   C1y C    25.1415  -16.9105
            9   N5x N    28.7922  -13.8431
            10  C8y C    30.4250  -15.6217
            11  C8x C    29.3927  -17.9892
            12  C1y C    23.3222  -15.5983
            13  C1y C    23.7536  -16.9105
            14  O1a O    25.8006  -18.0476
            15  N5x N    30.5882  -17.1146
            16  N1a N    31.5328  -14.7937
            17  C1b C    21.9984  -15.1669
            18  O1a O    23.3046  -18.2343
            19  O2b O    20.9604  -16.0940
            20  P1b P    19.5608  -16.0940
            21  O1c O    19.5551  -17.4936
            22  O7a O    18.1672  -16.0940
            23  O1c O    19.5551  -14.7003
            24  C7a C    16.9548  -15.3940
            25  C8y C    15.7287  -16.1020
            26  C8x C    14.5315  -15.4106
            27  C8x C    13.3190  -16.1105
            28  C8y C    13.3189  -17.5105
            29  C8y C    14.5161  -18.2018
            30  C8x C    15.7286  -17.5020
            31  O1a O    14.5159  -19.5998
            32  O1a O    12.0969  -18.2160
            33  O6a O    16.9547  -14.0001
BOND        36
            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    5   9 1
            24   11  15 1
            25   12  13 1
            26   22  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   29  31 1
            35   28  32 1
            36   24  33 2

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