KEGG   COMPOUND: C20048
Entry
C20048                      Compound                               
Name
Apamine;
Apamin
Formula
C79H131N31O24S4
Exact mass
2025.8866
Mol weight
2027.35
Structure
Sequence
Cys Asn Cys Lys Ala Pro Glu Thr Ala Leu Cys Ala Arg Arg Cys Gln
Gln His-NH2 (Disulfide bridge: 1-11; 3-15)
  Organism
Apis mellifera [AME:406135]
  Type
Peptide
Brite
Natural toxins [BR:br08009]
 Venoms
  Bee venoms
   Peptides
    C20048  Apamine
Other DBs
CAS: 24345-16-2
PubChem: 135626514
LinkDB
KCF data

ATOM        138
            1   C1c C    19.4600  -27.4400
            2   C5a C    20.6724  -28.1400
            3   N1b N    21.8849  -27.4400
            4   C1c C    23.0973  -28.1400
            5   C5a C    24.3097  -27.4400
            6   N1b N    25.5222  -28.1400
            7   C1c C    26.7346  -27.4400
            8   C5a C    27.9470  -28.1400
            9   O5a O    20.6724  -29.5398
            10  C1b C    23.0973  -29.5400
            11  C5a C    24.3118  -30.2412
            12  O5a O    25.5083  -29.5502
            13  N1a N    24.3118  -31.6398
            14  N1a N    18.2476  -28.1400
            15  C1b C    19.4600  -26.0400
            16  S3a S    18.2476  -25.3400
            17  S3a S    17.5476  -24.1276
            18  C1b C    17.5476  -22.7276
            19  C1c C    18.7824  -22.0500
            20  N1b N    19.9949  -22.7500
            21  C5a C    21.2073  -22.0500
            22  C1c C    22.4197  -22.7500
            23  C5a C    18.7277  -20.6505
            24  O5a O    19.6922  -20.0896
            25  N1b N    17.5468  -19.9513
            26  C1c C    17.5468  -17.5013
            27  C5a C    18.7771  -16.7908
            28  C1a C    16.3513  -16.8110
            29  O5a O    19.9806  -17.4856
            30  N1b N    18.7771  -15.3908
            31  C1c C    21.2327  -14.5605
            32  C5a C    24.1078  -15.4606
            33  C1b C    21.2147  -13.1600
            34  C1b C    22.4295  -12.4641
            35  O5a O    21.2073  -20.7900
            36  N1b N    23.6173  -22.0585
            37  C5a C    24.8056  -22.7445
            38  C1b C    22.4197  -24.1499
            39  C1c C    21.1925  -24.8585
            40  C1a C    19.9896  -24.1640
            41  C1a C    21.1927  -26.2499
            42  C1c C    25.9964  -22.0569
            43  O5a O    24.8057  -24.1498
            44  N1b N    27.1860  -22.7437
            45  C1a C    25.9965  -20.6503
            46  C5a C    28.3762  -22.0565
            47  C1c C    33.4162  -23.0365
            48  O5a O    28.3762  -20.6565
            49  O5a O    24.3097  -26.0401
            50  N1b N    29.1466  -27.4473
            51  O5a O    27.9470  -29.5399
            52  C1c C    30.3359  -28.1340
            53  C5a C    31.5262  -27.4466
            54  N1b N    32.7161  -28.1336
            55  O5a O    31.5262  -26.0402
            56  C1b C    30.3361  -29.5398
            57  C1b C    31.5290  -30.2285
            58  C1b C    31.5292  -31.6397
            59  C1b C    32.7198  -32.3272
            60  N1a N    32.7200  -33.7397
            61  N1b N    34.6024  -22.3300
            62  C5a C    35.8149  -23.0300
            63  C1c C    37.0273  -22.3300
            64  C1c C    33.4162  -24.4365
            65  O1a O    32.1872  -25.1464
            66  C1a C    34.6061  -25.1235
            67  O5a O    35.8149  -24.2898
            68  N1b N    38.2418  -23.0312
            69  C5a C    39.4383  -22.3402
            70  C1y C    40.9751  -22.9553
            71  C1b C    37.0273  -20.9300
            72  C1b C    38.2418  -20.2288
            73  C6a C    38.2418  -18.8288
            74  O6a O    39.4373  -18.1384
            75  O6a O    37.0136  -18.1196
            76  O5a O    39.4383  -20.9402
            77  C1c C    33.9061  -27.4464
            78  C5a C    35.0962  -28.1335
            79  C1a C    33.9061  -26.0464
            80  O5a O    35.0962  -29.5335
            81  N1y N    40.9306  -24.3599
            82  C1x C    42.2516  -24.8360
            83  C1x C    43.1127  -23.7269
            84  C1x C    42.3239  -22.5652
            85  N1b N    25.2924  -14.7700
            86  C1c C    26.5049  -15.4700
            87  C5a C    27.7360  -14.7590
            88  C1b C    26.5050  -16.8698
            89  C1b C    25.3114  -17.5591
            90  C1b C    25.3114  -18.9591
            91  N1b N    24.1160  -19.6496
            92  C2c C    22.9377  -18.9697
            93  N1a N    21.7422  -19.6606
            94  N2a N    22.9373  -17.5702
            95  O5a O    24.1078  -16.8606
            96  N1b N    28.9412  -15.4547
            97  O5a O    27.7357  -13.3701
            98  C1c C    30.1235  -14.7719
            99  C5a C    30.1235  -13.3719
            100 N1b N    31.3190  -12.6815
            101 O5a O    28.8927  -12.6612
            102 C1b C    31.3174  -15.4613
            103 S3a S    31.3174  -16.8613
            104 S3a S    32.5299  -17.5613
            105 C1b C    32.5299  -18.9613
            106 C1c C    31.3190  -11.2815
            107 C5a C    32.5143  -10.5910
            108 N1b N    33.6924  -11.2700
            109 C1c C    34.9049  -10.5700
            110 C5a C    36.1173  -11.2700
            111 N1b N    37.3297  -10.5700
            112 C1c C    38.5422  -11.2700
            113 C1b C    30.0798  -10.5661
            114 C1b C    30.0798   -9.1661
            115 C5a C    28.8842   -8.4758
            116 O5a O    27.6937   -9.1633
            117 N1a N    28.8841   -7.0702
            118 O5a O    32.5141   -9.1704
            119 C1b C    34.9049   -9.1700
            120 C1b C    36.1360   -8.4590
            121 C5a C    36.1360   -7.0590
            122 N1a N    37.3317   -6.3687
            123 O5a O    34.9165   -6.3548
            124 O5a O    36.1173  -12.6700
            125 C1b C    39.7753  -10.5578
            126 C5a C    38.5423  -12.6697
            127 N1a N    39.7755  -13.3819
            128 O5a O    37.3507  -13.3580
            129 C8y C    40.9815  -11.2540
            130 C8x C    41.1296  -12.6584
            131 N5x N    42.5110  -12.9516
            132 C8x C    43.2167  -11.7284
            133 N4x N    42.2715  -10.6792
            134 C1b C    22.4295  -11.0641
            135 N1b N    23.6213  -10.3756
            136 C2c C    23.6213   -8.9756
            137 N1a N    24.8166   -8.2851
            138 N2a N    22.3785   -8.2583
BOND        141
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     2   9 2
            9     4  10 1
            10   10  11 1
            11   11  12 2
            12   11  13 1
            13    1  14 1
            14    1  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   21  22 1
            22   19  23 1
            23   23  24 2
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1 #Up
            28   27  29 2
            29   27  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 1
            33   33  34 1
            34   21  35 2
            35   22  36 1
            36   36  37 1
            37   22  38 1 #Up
            38   38  39 1
            39   39  40 1
            40   39  41 1
            41   37  42 1
            42   37  43 2
            43   42  44 1
            44   42  45 1
            45   44  46 1
            46   46  47 1
            47   46  48 2
            48    5  49 2
            49    8  50 1
            50    8  51 2
            51   50  52 1
            52   52  53 1
            53   53  54 1
            54   53  55 2
            55   52  56 1 #Down
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   47  61 1
            61   61  62 1
            62   62  63 1
            63   47  64 1
            64   64  65 1
            65   64  66 1 #Down
            66   62  67 2
            67   63  68 1
            68   68  69 1
            69   69  70 1
            70   63  71 1 #Down
            71   71  72 1
            72   72  73 1
            73   73  74 1
            74   73  75 2
            75   69  76 2
            76   54  77 1
            77   77  78 1
            78   77  79 1 #Up
            79   78  80 2
            80   70  81 1
            81   81  82 1
            82   82  83 1
            83   83  84 1
            84   70  84 1
            85   78  81 1
            86   32  85 1
            87   85  86 1
            88   86  87 1
            89   86  88 1
            90   88  89 1
            91   89  90 1
            92   90  91 1
            93   91  92 1
            94   92  93 1
            95   92  94 2
            96   32  95 2
            97   87  96 1
            98   87  97 2
            99   96  98 1
            100  98  99 1
            101  99 100 1
            102  99 101 2
            103  98 102 1
            104 102 103 1
            105 103 104 1
            106 104 105 1
            107   7 105 1
            108 100 106 1
            109 106 107 1
            110 107 108 1
            111 108 109 1
            112 109 110 1
            113 110 111 1
            114 111 112 1
            115 106 113 1
            116 113 114 1
            117 114 115 1
            118 115 116 2
            119 115 117 1
            120 107 118 2
            121 109 119 1 #Up
            122 119 120 1
            123 120 121 1
            124 121 122 1
            125 121 123 2
            126 110 124 2
            127 112 125 1
            128 112 126 1 #Up
            129 126 127 1
            130 126 128 2
            131 125 129 1
            132 129 130 2
            133 130 131 1
            134 131 132 2
            135 132 133 1
            136 129 133 1
            137  34 134 1
            138 134 135 1
            139 135 136 1
            140 136 137 1
            141 136 138 2

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