KEGG   COMPOUND: C15738
Entry
C15738                      Compound                               
Name
Ascidiacyclamide
Formula
C36H52N8O6S2
Exact mass
756.3451
Mol weight
756.9781
Structure
Sequence
  Organism
Symbiont of L.patella
Other DBs
CAS: 86701-12-4
PubChem: 47205064
ChEBI: 80067
NIKKAJI: J342.438C
LinkDB
KCF data

ATOM        52
            1   C1y C    39.2700  -20.2300
            2   C5a C    40.4600  -19.5300
            3   N1b N    41.7200  -20.2300
            4   C1c C    42.9100  -19.5300
            5   C8y C    44.1000  -20.2300
            6   N5x N    44.2400  -21.6300
            7   C8y C    45.5700  -21.9100
            8   C8x C    46.2700  -20.7200
            9   S2x S    45.3600  -19.6700
            10  C1y C    38.0100  -19.6700
            11  O2x O    37.0300  -20.7200
            12  C2y C    37.7300  -21.9100
            13  N2x N    39.1300  -21.6300
            14  C1c C    37.0300  -23.1000
            15  N1b N    37.7300  -24.3600
            16  C5a C    37.0300  -25.5500
            17  C8y C    37.7300  -26.7400
            18  C5a C    46.2700  -23.1000
            19  N1b N    45.5700  -24.3600
            20  C1c C    46.2700  -25.5500
            21  C8y C    39.2700  -28.4200
            22  C1c C    40.4600  -29.1200
            23  N1b N    41.7200  -28.4200
            24  C5a C    42.9100  -29.1200
            25  C1y C    44.1000  -28.4200
            26  C1y C    45.2900  -28.9800
            27  O2x O    46.2700  -27.9300
            28  C2y C    45.5700  -26.7400
            29  N2x N    44.2400  -27.0200
            30  N5x N    39.1300  -27.0200
            31  C8x C    37.0300  -27.9300
            32  S2x S    38.0100  -28.9800
            33  O5a O    35.6300  -25.5500
            34  C1c C    40.4600  -30.5200
            35  O5a O    42.9100  -30.5200
            36  C1a C    45.5700  -30.3800
            37  C1c C    47.6700  -25.5500
            38  C1b C    48.3700  -26.7400
            39  C1a C    48.3700  -24.3600
            40  C1a C    47.6700  -27.9300
            41  O5a O    47.6700  -23.1000
            42  C1c C    42.9100  -18.1300
            43  O5a O    40.4600  -18.1300
            44  C1a C    37.7300  -18.3400
            45  C1c C    35.6300  -23.1000
            46  C1a C    34.9300  -24.2900
            47  C1b C    34.9300  -21.8400
            48  C1a C    35.7000  -20.6500
            49  C1a C    39.2476  -31.2200
            50  C1a C    41.6724  -31.2200
            51  C1a C    44.1224  -17.4300
            52  C1a C    41.6976  -17.4300
BOND        56
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    1  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    7  18 1
            20   18  19 1
            21   19  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   25  29 1
            31   21  30 2
            32   30  17 1
            33   17  31 2
            34   31  32 1
            35   21  32 1
            36   20  28 1
            37   16  33 2
            38   22  34 1 #Down
            39   24  35 2
            40   26  36 1 #Down
            41   20  37 1
            42   37  38 1 #Up
            43   37  39 1
            44   38  40 1
            45   18  41 2
            46    4  42 1 #Down
            47    2  43 2
            48   10  44 1 #Down
            49   14  45 1
            50   45  46 1
            51   45  47 1 #Up
            52   47  48 1
            53   34  49 1
            54   34  50 1
            55   42  51 1
            56   42  52 1

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