KEGG   COMPOUND: C15734
Entry
C15734                      Compound                               
Name
Patellamide A
Formula
C35H50N8O6S2
Exact mass
742.3295
Mol weight
742.9515
Structure
Sequence
Ile Thr Val Cys Ile Ser Val Cys
  Organism
Prochloron didemni (Symbiont of L.patella)
  Type
Peptide
Other DBs
CAS: 81120-73-2
PubChem: 47205060
ChEBI: 80063
KNApSAcK: C00028807
NIKKAJI: J825.416H
LinkDB
KCF data

ATOM        51
            1   C1y C    39.2526  -21.6132
            2   C5a C    40.4417  -20.9137
            3   N1b N    41.7007  -21.6132
            4   C1c C    42.8898  -20.9137
            5   C8y C    44.0788  -21.6132
            6   N5x N    44.2187  -23.0121
            7   C8y C    45.6176  -23.2919
            8   C8x C    46.3171  -22.1028
            9   S2x S    45.4078  -21.0536
            10  C1x C    37.9936  -21.0536
            11  O2x O    37.0143  -22.1028
            12  C2y C    37.7138  -23.2919
            13  N2x N    39.1127  -23.0121
            14  C1c C    37.0143  -24.4810
            15  N1b N    37.7138  -25.7400
            16  C5a C    37.0143  -26.9291
            17  C8y C    37.7138  -28.1181
            18  C5a C    46.3171  -24.4810
            19  N1b N    45.6176  -25.7400
            20  C1c C    46.3171  -26.9291
            21  C8y C    39.2526  -29.7968
            22  C1c C    40.4417  -30.4963
            23  N1b N    41.7007  -29.7968
            24  C5a C    42.8898  -30.4963
            25  C1y C    44.0788  -29.7968
            26  C1y C    45.3379  -30.3564
            27  O2x O    46.3171  -29.3072
            28  C2y C    45.6176  -28.1181
            29  N2x N    44.2187  -28.3979
            30  N5x N    39.1127  -28.3979
            31  C8x C    37.0143  -29.3072
            32  S2x S    37.9936  -30.3564
            33  C1c C    35.6154  -24.4810
            34  C1a C    34.9160  -25.6700
            35  C1b C    34.9160  -23.2219
            36  C1a C    35.6854  -22.0329
            37  O5a O    35.6154  -26.9291
            38  C1c C    40.4417  -31.8952
            39  C1a C    39.1827  -32.5947
            40  C1a C    41.6307  -32.5947
            41  O5a O    42.8898  -31.8952
            42  C1a C    45.6176  -31.7553
            43  C1c C    47.7160  -26.9291
            44  C1b C    48.4155  -28.1181
            45  C1a C    48.4155  -25.7400
            46  C1a C    47.7160  -29.3072
            47  O5a O    47.7160  -24.4810
            48  C1c C    42.8898  -19.5148
            49  C1a C    44.0788  -18.8154
            50  C1a C    41.7007  -18.8154
            51  O5a O    40.4417  -19.5148
BOND        55
            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   14  33 1
            38   33  34 1
            39   33  35 1 #Up
            40   35  36 1
            41   16  37 2
            42   22  38 1 #Down
            43   38  39 1
            44   38  40 1
            45   24  41 2
            46   26  42 1 #Down
            47   20  43 1
            48   43  44 1 #Up
            49   43  45 1
            50   44  46 1
            51   18  47 2
            52    4  48 1 #Down
            53   48  49 1
            54   48  50 1
            55    2  51 2

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