KEGG   COMPOUND: C21497
Entry
C21497                      Compound                               

Name
4-Hydroxybenzoyl-adenylate;
4-Hydroxybenzoyl-AMP
Formula
C17H18N5O9P
Exact mass
467.0842
Mol weight
467.3267
Structure
Reaction
Enzyme
Other DBs
PubChem: 333497480
KCF data

ATOM        32
            1   C8y C    19.6000  -15.6800
            2   C7a C    19.6000  -14.2800
            3   C8x C    20.7900  -16.3800
            4   C8x C    18.4100  -16.3800
            5   O6a O    18.4100  -13.5800
            6   C8x C    20.7900  -17.7800
            7   C8x C    18.4100  -17.7800
            8   C8y C    19.6000  -18.4800
            9   O1a O    19.6000  -19.8800
            10  N4y N    29.8200  -12.4600
            11  C8y C    30.8700  -13.1600
            12  C1y C    28.4900  -12.8800
            13  C8x C    30.3100  -11.0600
            14  C8y C    32.1300  -12.2500
            15  N5x N    31.0100  -14.6300
            16  O2x O    27.3700  -11.9700
            17  C1y C    28.0700  -14.1400
            18  N5x N    31.7100  -11.0600
            19  C8y C    33.3900  -12.8100
            20  C8x C    32.3400  -15.1900
            21  C1y C    26.2500  -12.8100
            22  C1y C    26.6700  -14.1400
            23  N5x N    33.5300  -14.2800
            24  N1a N    34.4400  -11.9700
            25  C1b C    24.9200  -12.3900
            26  O2b O    23.8700  -13.3000
            27  P1b P    22.4700  -13.3000
            28  O1c O    22.4700  -14.7000
            29  O1c O    22.4700  -11.9000
            30  O7a O    21.0700  -13.3000
            31  O1a O    26.1100  -15.3300
            32  O1a O    28.7000  -15.3300
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 2
            6     4   7 1
            7     6   8 1
            8     8   9 1
            9     7   8 2
            10   10  11 1
            11   12  10 1 #Up
            12   10  13 1
            13   11  14 2
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 2
            18   14  19 1
            19   15  20 2
            20   16  21 1
            21   17  22 1
            22   19  23 2
            23   19  24 1
            24   21  25 1 #Up
            25   25  26 1
            26   26  27 1
            27   27  28 2
            28   27  29 1
            29   14  18 1
            30   20  23 1
            31   21  22 1
            32   27  30 1
            33   22  31 1 #Down
            34   17  32 1 #Down
            35    2  30 1

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