KEGG   COMPOUND: C21445
Entry
C21445                      Compound                               
Name
17-(4-Hydroxyphenyl)heptadecanoyl adenylate
Formula
C33H50N5O9P
Exact mass
691.3346
Mol weight
691.752
Structure
Reaction
Enzyme
Other DBs
PubChem: 329728068
KCF data

ATOM        48
            1   N4y N    54.3051  -15.1564
            2   C8y C    55.3756  -15.8954
            3   C1y C    53.0251  -15.5754
            4   C8x C    54.7879  -13.7601
            5   C8y C    56.6089  -14.9877
            6   N5x N    55.5094  -17.3148
            7   O2x O    51.8848  -14.7200
            8   C1y C    52.5946  -16.8261
            9   N5x N    56.2366  -13.7659
            10  C8y C    57.8658  -15.5404
            11  C8x C    56.8360  -17.9025
            12  C1y C    50.7795  -15.5171
            13  C1y C    51.2099  -16.8261
            14  O1a O    53.2520  -18.1004
            15  N5x N    58.0286  -17.0298
            16  N1a N    58.9711  -14.7144
            17  C1b C    49.4588  -15.0867
            18  O1a O    50.6921  -18.0770
            19  O2b O    48.4231  -16.0116
            20  P1b P    47.0267  -16.0116
            21  O7a O    45.6364  -16.0116
            22  O1c O    47.0211  -17.4080
            23  O1c O    47.0211  -14.6213
            24  C7a C    44.4175  -15.3197
            25  C1b C    43.2057  -16.0194
            26  O6a O    44.4824  -13.9207
            27  C1b C    41.9776  -15.3300
            28  C1b C    40.7651  -16.0300
            29  C1b C    39.5527  -15.3300
            30  C1b C    38.3403  -16.0300
            31  C1b C    37.1278  -15.3300
            32  C1b C    35.9154  -16.0300
            33  C1b C    34.7030  -15.3300
            34  C1b C    33.4905  -16.0300
            35  C1b C    32.2781  -15.3300
            36  C1b C    31.0656  -16.0300
            37  C1b C    29.8532  -15.3300
            38  C1b C    28.6408  -16.0300
            39  C1b C    27.4283  -15.3300
            40  C1b C    26.2159  -16.0300
            41  C1b C    25.0035  -15.3300
            42  C8y C    23.7810  -16.0359
            43  C8x C    22.5804  -15.3426
            44  C8x C    21.3679  -16.0425
            45  C8y C    21.3678  -17.4425
            46  C8x C    22.5684  -18.1358
            47  C8x C    23.7809  -17.4359
            48  O1a O    20.1476  -18.1471
BOND        51
            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   21  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 2
            46   43  44 1
            47   44  45 2
            48   45  46 1
            49   46  47 2
            50   42  47 1
            51   45  48 1

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