KEGG   COMPOUND: C03887
Entry
C03887                      Compound                               
Name
Oxidized Cypridina luciferin
Formula
C21H27N7O
Exact mass
393.2277
Mol weight
393.4854
Structure
Reaction
Enzyme
Other DBs
PubChem: 6620
ChEBI: 17216
NIKKAJI: J2.744.438E
LinkDB
KCF data

ATOM        29
            1   C8x C    24.1500  -16.4500
            2   C8y C    24.1500  -17.8500
            3   N5x N    25.4100  -18.5500
            4   C8y C    26.6000  -17.8500
            5   C8y C    26.6000  -16.4500
            6   N5x N    25.4100  -15.7500
            7   C8y C    22.9600  -18.5500
            8   C8y C    21.7000  -17.9900
            9   C8y C    20.7900  -19.0400
            10  N4x N    21.4900  -20.2300
            11  C8x C    22.8200  -19.9500
            12  C8x C    21.2800  -16.6600
            13  C8x C    19.8800  -16.3800
            14  C8x C    18.9700  -17.4300
            15  C8x C    19.3900  -18.7600
            16  C1b C    27.8600  -18.5500
            17  C1b C    29.0500  -17.8500
            18  C1b C    30.3100  -18.5500
            19  N1b N    31.5000  -17.8500
            20  C2c C    32.6900  -18.5500
            21  N1a N    33.9500  -17.8500
            22  N2a N    32.6900  -19.9500
            23  N1b N    27.8153  -15.7549
            24  C5a C    27.8153  -14.3549
            25  C1c C    29.0107  -13.6645
            26  C1b C    30.1939  -14.3474
            27  C1a C    31.3871  -13.6582
            28  O5a O    26.5818  -13.6427
            29  C1a C    29.0108  -12.2503
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 2
            13    8  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    9  15 2
            18    4  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 2
            25    5  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   24  28 2
            31   25  29 1 #Up

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