KEGG   COMPOUND: C15736
Entry
C15736                      Compound                               
Name
Patellamide B
Formula
C38H48N8O6S2
Exact mass
776.3138
Mol weight
776.9677
Structure
Sequence
  Organism
Symbiont of L.patella
Other DBs
CAS: 81098-23-9
PubChem: 47205062
ChEBI: 80065
KNApSAcK: C00028808
NIKKAJI: J674.660H
LinkDB
KCF data

ATOM        54
            1   C1y C    19.7594  -10.7199
            2   C5a C    20.9497  -10.0197
            3   N1b N    22.2100  -10.7199
            4   C1c C    23.4003  -10.0197
            5   C8y C    24.5906  -10.7199
            6   N5x N    24.7306  -12.1202
            7   C8y C    26.1309  -12.4003
            8   C8x C    26.8311  -11.2101
            9   S2x S    25.9209  -10.1598
            10  C1y C    18.4991  -10.1598
            11  O2x O    17.5188  -11.2101
            12  C2y C    18.2190  -12.4003
            13  N2x N    19.6193  -12.1202
            14  C1c C    17.5188  -13.5906
            15  N1b N    18.2190  -14.8509
            16  C5a C    17.5188  -16.0412
            17  C8y C    18.2190  -17.2315
            18  C5a C    26.8311  -13.5906
            19  N1b N    26.1309  -14.8509
            20  C1c C    26.8311  -16.0412
            21  C8y C    19.7594  -18.9119
            22  C1c C    20.9497  -19.6121
            23  N1b N    22.2100  -18.9119
            24  C5a C    23.4003  -19.6121
            25  C1y C    24.5906  -18.9119
            26  C1y C    25.8509  -19.4720
            27  O2x O    26.8311  -18.4217
            28  C2y C    26.1309  -17.2315
            29  N2x N    24.7306  -17.5116
            30  N5x N    19.6193  -17.5116
            31  C8x C    17.5188  -18.4217
            32  S2x S    18.4991  -19.4720
            33  O5a O    16.1185  -16.0412
            34  C1b C    20.9497  -21.0124
            35  O5a O    23.4003  -21.0124
            36  C1a C    26.1309  -20.8723
            37  C1c C    28.2314  -16.0412
            38  C1b C    28.9317  -17.2315
            39  C1a C    28.9317  -14.8509
            40  O5a O    28.2314  -13.5906
            41  C1a C    23.4003   -8.6194
            42  O5a O    20.9497   -8.6194
            43  C1a C    18.2190   -8.8294
            44  C8y C    19.7370  -21.7125
            45  C8x C    18.5412  -21.0220
            46  C8x C    17.3284  -21.7221
            47  C8x C    17.3282  -23.1224
            48  C8x C    18.5240  -23.8130
            49  C8x C    19.7368  -23.1129
            50  C1b C    16.1186  -13.5734
            51  C1c C    15.4320  -12.3497
            52  C1a C    14.0001  -12.3328
            53  C1a C    16.1511  -11.1385
            54  C1a C    30.3100  -17.2313
BOND        59
            1     1   2 1 #Up
            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   20  19 1 #Up
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   25  24 1 #Up
            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
            43   37  39 1 #Up
            44   18  40 2
            45    4  41 1 #Down
            46    2  42 2
            47   10  43 1 #Down
            48   34  44 1
            49   44  45 2
            50   45  46 1
            51   46  47 2
            52   47  48 1
            53   48  49 2
            54   44  49 1
            55   14  50 1 #Up
            56   50  51 1
            57   51  52 1
            58   51  53 1
            59   38  54 1

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