KEGG   COMPOUND: C15723
Entry
C15723                      Compound                               
Name
Nostocyclopeptide A1
Formula
C37H56N8O9
Exact mass
756.417
Mol weight
756.8887
Structure
Sequence
0 Tyr  1 Gly  2 Gln  3 Ile  4 Ser  5 Pro  6 Leu
(Cyclization: 0-6)
  Gene
0-2 NcpA [UP:Q84BC8]; 3-6 NcpB [UP:Q84BC7]
  Organism
Nostoc sp. ATCC 53789
  Type
NRP
Comment
5 Pro is modified by 4-methyl. (i.e. 4-Methylproline, MePro)
Other DBs
PubChem: 47205049
ChEBI: 80053
NIKKAJI: J1.488.156E
LinkDB
KCF data

ATOM        54
            1   C1y C    15.2600  -16.6600
            2   N1y N    15.2600  -18.0600
            3   C5a C    16.4724  -18.7600
            4   O5a O    17.6849  -18.0600
            5   O5a O    17.6849  -16.6600
            6   C5a C    16.4724  -15.9600
            7   C1c C    16.4724  -20.1600
            8   N1b N    17.6849  -20.8600
            9   C5a C    18.8973  -20.1600
            10  O5a O    18.8973  -18.7600
            11  C1c C    20.1097  -20.8600
            12  N1b N    21.3222  -20.1600
            13  C5a C    22.5346  -20.8600
            14  C1c C    23.7470  -20.1600
            15  N1b N    23.7470  -18.7600
            16  C5a C    24.9595  -18.0600
            17  C1b C    24.9595  -16.6600
            18  N1b N    23.7470  -15.9600
            19  C5a C    23.7470  -14.5600
            20  C1c C    22.5346  -13.8600
            21  N2b N    21.3222  -14.5600
            22  C1c C    17.6849  -13.8600
            23  N1b N    16.4724  -14.5600
            24  C2b C    19.0849  -13.8600
            25  C1c C    20.1097  -22.2599
            26  C1a C    18.8825  -22.9685
            27  C1b C    21.3074  -22.9514
            28  C1a C    21.3074  -24.3514
            29  O5a O    22.5346  -22.2600
            30  C1b C    24.9466  -20.8527
            31  C1b C    26.1359  -20.1660
            32  C5a C    27.3262  -20.8534
            33  N1a N    28.5161  -20.1664
            34  O5a O    27.3263  -22.2598
            35  O5a O    26.1946  -18.7734
            36  O5a O    24.9466  -13.8673
            37  C1b C    22.5346  -12.4600
            38  C8y C    23.7511  -11.7577
            39  C8x C    24.9486  -12.4492
            40  C8x C    26.1611  -11.7493
            41  C8y C    26.1613  -10.3493
            42  C8x C    24.9637   -9.6578
            43  C8x C    23.7512  -10.3577
            44  O1a O    27.3830   -9.6440
            45  C1b C    17.3244  -12.5142
            46  C1c C    15.9443  -12.1437
            47  C1a C    14.9785  -13.1083
            48  C1a C    15.5750  -10.7640
            49  C1b C    15.2433  -20.8698
            50  O1a O    14.0392  -20.1747
            51  C1x C    13.9285  -16.2274
            52  C1y C    13.1056  -17.3600
            53  C1x C    13.9285  -18.4926
            54  C1a C    11.6900  -17.3600
BOND        56
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     5   6 2
            5     1   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10    9  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   22  23 1
            22    6  23 1
            23   22  24 1
            24   24  21 2
            25   11  25 1
            26   25  26 1 #Down
            27   25  27 1
            28   27  28 1
            29   13  29 2
            30   14  30 1 #Down
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   32  34 2
            35   16  35 2
            36   19  36 2
            37   20  37 1 #Up
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   38  43 1
            45   41  44 1
            46   22  45 1 #Up
            47   45  46 1
            48   46  47 1
            49   46  48 1
            50    7  49 1 #Up
            51   49  50 1
            52    1  51 1
            53   51  52 1
            54   52  53 1
            55    2  53 1
            56   52  54 1 #Up

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