KEGG   COMPOUND: C15698
Entry
C15698                      Compound                               
Name
Nostopeptolide A2
Formula
C52H78N10O14
Exact mass
1066.5699
Mol weight
1067.2343
Structure
Sequence
0 Butyrate-Val  1 Ser  2 Pro  3 Leu  4 Man  5 Leu  6 Gly  7 Asn
8 Tyr  9 Pro  (Cyclization: 1-9)
  Gene
0-3 NosA [UP:Q9RAH4]; 4 NosB [UP:Q9RAH3]; 5-7 NosC [UP:Q9RAH2];
8-9 NosD [UP:Q9RAH1]
  Organism
Nostoc sp. GSV224
  Type
PKNRP
Comment
2 Pro is modified by 4-methyl. (i.e. 4-Methylproline, MePro)
3 Leu is modified by acetate. (i.e. Leucylacetate, LeuAc)
Other DBs
PubChem: 47205024
ChEBI: 80032
NIKKAJI: J2.795.756K
LinkDB
KCF data

ATOM        76
            1   C1c C    23.0300  -22.1900
            2   N1b N    23.0300  -23.5900
            3   C5a C    24.2200  -24.2900
            4   O5a O    25.4800  -23.5900
            5   O5a O    25.4800  -22.1900
            6   C5a C    24.2200  -21.4900
            7   O6a O    26.6700  -21.4900
            8   C7a C    26.6700  -20.0900
            9   C1y C    25.4800  -19.3900
            10  N1y N    24.2200  -20.0900
            11  C1b C    29.1200  -20.0900
            12  O7a O    27.8600  -19.3900
            13  O5a O    31.5000  -21.4900
            14  C5a C    31.5000  -20.0900
            15  C1c C    30.3100  -19.3900
            16  O5a O    32.6900  -22.1900
            17  C5a C    33.8800  -21.4900
            18  C1y C    33.8800  -20.0900
            19  N1y N    32.6900  -19.3900
            20  C1x C    34.9300  -19.1800
            21  C1y C    34.3700  -17.8500
            22  C1x C    32.9700  -17.9900
            23  O5a O    32.6900  -23.5900
            24  C5a C    33.8800  -24.2900
            25  C1c C    35.0700  -23.5900
            26  N1b N    35.0700  -22.1900
            27  O5a O    31.5000  -25.6900
            28  C5a C    32.6900  -26.3900
            29  C1b C    33.8800  -25.6900
            30  C5a C    30.3100  -27.7900
            31  C1c C    31.5000  -28.4900
            32  N1b N    32.6900  -27.7900
            33  C1x C    25.1300  -17.9900
            34  C1x C    23.8000  -17.8500
            35  C1x C    23.1700  -19.1800
            36  C1c C    24.2200  -25.6900
            37  N1b N    25.4800  -26.3900
            38  O5a O    30.3100  -26.3900
            39  C1b C    27.8600  -27.7900
            40  N1b N    29.1200  -28.4900
            41  C5a C    27.2300  -26.3200
            42  O5a O    27.9300  -25.1300
            43  C1b C    36.2600  -24.2900
            44  C1c C    37.4500  -23.5900
            45  C1a C    38.6400  -24.2900
            46  C1a C    37.4500  -22.1900
            47  C1a C    35.0700  -16.6600
            48  N1b N    30.3100  -17.9900
            49  C5a C    29.1200  -17.2900
            50  O5a O    27.9300  -17.9900
            51  C1c C    29.1200  -15.8900
            52  N1b N    27.9300  -15.1900
            53  C1c C    30.3100  -15.1900
            54  C1a C    31.5000  -15.8900
            55  C1a C    30.3100  -13.8600
            56  C5a C    26.7400  -15.8900
            57  C1b C    25.5500  -15.1900
            58  O5a O    26.7400  -17.2900
            59  C1b C    24.3600  -15.8900
            60  C1a C    23.1700  -15.1900
            61  C1b C    21.8400  -21.4900
            62  C8y C    20.6500  -22.1900
            63  C8x C    19.4600  -21.4900
            64  C8x C    18.2000  -22.1900
            65  C8y C    18.2000  -23.5900
            66  C8x C    19.3900  -24.2900
            67  C8x C    20.6500  -23.5900
            68  O1a O    17.0100  -24.2900
            69  C1b C    23.0300  -26.3900
            70  C5a C    23.0300  -27.7900
            71  N1a N    21.8400  -28.4900
            72  O5a O    24.2200  -28.4900
            73  C1b C    31.5000  -29.8900
            74  C1c C    32.6200  -30.5900
            75  C1a C    33.8100  -29.8900
            76  C1a C    32.6200  -31.9900
BOND        79
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     5   6 2
            5     1   6 1
            6     7   8 2
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10   11  12 1
            11    8  12 1
            12   13  14 2
            13   14  15 1
            14   11  15 1
            15   16  17 2
            16   17  18 1
            17   18  19 1
            18   14  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   19  22 1
            23   23  24 2
            24   24  25 1
            25   25  26 1
            26   17  26 1
            27   27  28 2
            28   28  29 1
            29   24  29 1
            30   30  31 1
            31   31  32 1
            32   28  32 1
            33    9  33 1
            34   33  34 1
            35   34  35 1
            36   10  35 1
            37    3  36 1
            38   36  37 1
            39   30  38 2
            40   39  40 1
            41   30  40 1
            42   37  41 1
            43   41  39 1
            44   41  42 2
            45   25  43 1 #Up
            46   43  44 1
            47   44  45 1
            48   44  46 1
            49   21  47 1 #Up
            50   15  48 1 #Down
            51   48  49 1
            52   49  50 2
            53   51  49 1 #Up
            54   51  52 1
            55   51  53 1
            56   53  54 1
            57   53  55 1
            58   52  56 1
            59   56  57 1
            60   56  58 2
            61   57  59 1
            62   59  60 1
            63    1  61 1 #Up
            64   61  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 2
            68   65  66 1
            69   66  67 2
            70   62  67 1
            71   65  68 1
            72   36  69 1 #Up
            73   69  70 1
            74   70  71 1
            75   70  72 2
            76   31  73 1 #Up
            77   73  74 1
            78   74  75 1
            79   74  76 1

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