KEGG   COMPOUND: C19705
Entry
C19705                      Compound                               
Name
Oxidized dinoflagellate luciferin
Formula
C33H38N4O7
Exact mass
602.2741
Mol weight
602.68
Structure
Reaction
Enzyme
Other DBs
PubChem: 135626173
LinkDB
KCF data

ATOM        44
            1   C8y C    21.0881  -20.4621
            2   C1b C    19.8153  -21.0133
            3   N4x N    21.1855  -19.0666
            4   C8y C    22.4526  -20.9827
            5   C8y C    18.5053  -20.4873
            6   C8y C    22.5375  -18.7496
            7   C8y C    23.2783  -19.9240
            8   C8y C    17.2698  -21.1110
            9   N4x N    18.2842  -19.1039
            10  C2y C    23.0395  -17.5007
            11  N1x N    18.1871  -16.1116
            12  C8y C    16.2777  -20.1863
            13  C8y C    16.9274  -18.8769
            14  C2y C    22.5255  -16.2460
            15  C5x C    18.3648  -14.7282
            16  C1y C    16.8037  -16.3563
            17  C1b C    16.3632  -17.6475
            18  C1y C    23.1560  -14.9849
            19  N1x N    21.1482  -16.0383
            20  C2y C    17.1040  -14.1420
            21  C6a C    19.8373  -13.7000
            22  C2y C    16.1431  -15.1387
            23  C1y C    22.1653  -14.0247
            24  C1y C    20.9224  -14.6743
            25  C1a C    17.0919  -12.7275
            26  C2b C    14.7419  -15.1387
            27  C1a C    22.1461  -12.6171
            28  C1b C    24.5382  -14.7528
            29  C1b C    25.4800  -15.8967
            30  C1b C    17.2132  -22.4955
            31  C1a C    15.9872  -23.1313
            32  C1a C    14.8002  -20.2543
            33  O6a O    19.8373  -12.2893
            34  O5x O    19.6977  -14.5798
            35  C2a C    14.0595  -13.9570
            36  C1a C    22.8253  -22.3198
            37  C5x C    24.6075  -19.0150
            38  C5x C    24.3203  -17.5007
            39  O5x O    25.9022  -19.5498
            40  C6a C    26.8320  -15.6708
            41  O6a O    18.4867  -13.6877
            42  O6a O    27.7329  -16.7648
            43  O6a O    27.3262  -14.3499
            44  O5x O    25.2009  -16.4369
BOND        48
            1    14  18 1
            2    14  19 1
            3    15  20 1
            4    16  22 1
            5    18  23 1
            6    19  24 1
            7    20  25 1
            8    22  26 1
            9    23  27 1 #Up
            10    6   7 2
            11   12  13 2
            12   16  17 1
            13   20  22 2
            14   24  21 1 #Down
            15   23  24 1
            16   18  28 1 #Down
            17   28  29 1
            18    1   2 1
            19    1   3 1
            20    8  30 1
            21    1   4 2
            22   30  31 1
            23    2   5 1
            24    3   6 1
            25    4   7 1
            26    5   8 2
            27   12  32 1
            28    5   9 1
            29    6  10 1
            30    8  12 1
            31    9  13 1
            32   10  14 2
            33   11  15 1
            34   11  16 1
            35   13  17 1
            36   21  33 2
            37   15  34 2
            38   26  35 2
            39    4  36 1
            40    7  37 1
            41   10  38 1
            42   37  38 1
            43   37  39 2
            44   29  40 1
            45   21  41 1
            46   40  42 1
            47   40  43 2
            48   38  44 2

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