KEGG   COMPOUND: C16098
Entry
C16098                      Compound                               

Name
Neurokinin B;
Neuromedin K;
Tachykinin-3
Formula
C55H79N13O14S2
Exact mass
1209.5311
Mol weight
1210.4245
Structure
Sequence
Asp Met His Asp Phe Phe Val Gly Leu Met-NH2
  Organism
Homo sapiens [HSA:6866]
  Type
Peptide
Brite
Bioactive peptides [BR:br08005]
 Neuropeptides
  Tachykinin
   C16098  Neurokinin B
Other DBs
PubChem: 47205408
ChEBI: 80312
ChEMBL: CHEMBL437797
NIKKAJI: J260.381K
KCF data

ATOM        84
            1   C1a C     7.4900  -21.0000
            2   S2a S     8.7024  -20.3000
            3   C1b C     9.9149  -21.0000
            4   C1b C    11.1273  -20.3000
            5   C1c C    12.3397  -21.0000
            6   N1b N    13.5522  -20.3000
            7   C5a C    14.7646  -21.0000
            8   C1c C    15.9770  -20.3000
            9   N1b N    17.1895  -21.0000
            10  C5a C    18.4019  -20.3000
            11  C1b C    19.6144  -21.0000
            12  N1b N    20.8268  -20.3000
            13  C5a C    22.0392  -21.0000
            14  C1c C    23.2517  -20.3000
            15  N1b N    24.4641  -21.0000
            16  C5a C    25.6765  -20.3000
            17  C1c C    26.8890  -21.0000
            18  N1b N    28.1014  -20.3000
            19  C5a C    29.3138  -21.0000
            20  C1c C    30.5263  -20.3000
            21  N1b N    31.7387  -21.0000
            22  C5a C    32.9511  -20.3000
            23  C1c C    34.1636  -21.0000
            24  N1b N    35.3760  -20.3000
            25  C5a C    36.5885  -21.0000
            26  C1c C    37.8009  -20.3000
            27  N1b N    39.0133  -21.0000
            28  C5a C    40.2258  -20.3000
            29  C1c C    41.4382  -21.0000
            30  N1b N    42.6506  -20.3000
            31  C5a C    43.8631  -21.0000
            32  C1c C    45.0755  -20.3000
            33  C5a C    12.3397  -22.3999
            34  N1a N    11.1125  -23.1085
            35  O5a O    13.5374  -23.0914
            36  O5a O    14.7646  -22.4000
            37  C1b C    15.9770  -18.9001
            38  C1c C    14.7518  -18.1926
            39  C1a C    13.5499  -18.8866
            40  C1a C    14.7520  -16.8001
            41  O5a O    18.4019  -18.9000
            42  O5a O    22.0392  -22.4000
            43  C1c C    23.2517  -18.9000
            44  C1a C    22.0305  -18.1950
            45  C1a C    24.4554  -18.2051
            46  O5a O    25.6765  -18.9001
            47  C1b C    26.8890  -22.4000
            48  C8y C    25.6698  -23.1039
            49  C8x C    24.4710  -22.4116
            50  C8x C    23.2585  -23.1115
            51  C8x C    23.2583  -24.5115
            52  C8x C    24.4572  -25.2038
            53  C8x C    25.6697  -24.5039
            54  O5a O    29.3138  -22.3999
            55  C1b C    30.5263  -18.9000
            56  C8y C    29.3091  -18.1973
            57  C8x C    29.3092  -16.8002
            58  C8x C    28.0968  -16.1001
            59  C8x C    26.8843  -16.8001
            60  C8x C    26.8843  -18.1972
            61  C8x C    28.0967  -18.8972
            62  O5a O    32.9511  -18.9001
            63  C1b C    34.1636  -22.4000
            64  C6a C    32.9485  -23.1016
            65  O6a O    31.7516  -22.4104
            66  O6a O    32.9484  -24.4998
            67  O5a O    36.5885  -22.3998
            68  C1b C    37.8009  -18.9000
            69  C8y C    36.5878  -18.1996
            70  N5x N    36.4418  -16.8101
            71  C8x C    35.0752  -16.5196
            72  N4x N    34.3766  -17.7295
            73  C8x C    35.3114  -18.7678
            74  O5a O    40.2258  -18.9002
            75  C1b C    41.4382  -22.4000
            76  C1b C    42.6520  -23.1008
            77  S2a S    42.6520  -24.5008
            78  C1a C    43.8475  -25.1911
            79  O5a O    43.8631  -22.3997
            80  C1b C    46.2924  -21.0000
            81  C6a C    47.5049  -20.3000
            82  O6a O    48.7173  -21.0000
            83  N1a N    45.0744  -18.9000
            84  O6a O    47.5049  -18.9002
BOND        86
            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     8   9 1
            9     9  10 1
            10   10  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   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    5  33 1
            33   33  34 1
            34   33  35 2
            35    7  36 2
            36    8  37 1 #Down
            37   37  38 1
            38   38  39 1
            39   38  40 1
            40   10  41 2
            41   13  42 2
            42   14  43 1 #Down
            43   43  44 1
            44   43  45 1
            45   16  46 2
            46   17  47 1 #Up
            47   47  48 1
            48   48  49 2
            49   49  50 1
            50   50  51 2
            51   51  52 1
            52   52  53 2
            53   48  53 1
            54   19  54 2
            55   20  55 1 #Down
            56   55  56 1
            57   56  57 2
            58   57  58 1
            59   58  59 2
            60   59  60 1
            61   60  61 2
            62   56  61 1
            63   22  62 2
            64   23  63 1 #Up
            65   63  64 1
            66   64  65 2
            67   64  66 1
            68   25  67 2
            69   26  68 1 #Down
            70   68  69 1
            71   69  70 1
            72   70  71 2
            73   71  72 1
            74   72  73 1
            75   69  73 2
            76   28  74 2
            77   29  75 1 #Up
            78   75  76 1
            79   76  77 1
            80   77  78 1
            81   31  79 2
            82   32  80 1
            83   80  81 1
            84   81  82 1
            85   32  83 1 #Up
            86   81  84 2

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