KEGG   COMPOUND: C16097
Entry
C16097                      Compound                               

Name
Neurokinin A;
Substance K;
Neuromedin L
Formula
C50H80N14O14S
Exact mass
1132.5699
Mol weight
1133.3206
Structure
Sequence
His Lys Thr Asp Ser Phe Val Gly Leu Met-NH2
  Organism
Homo sapiens [HSA:6863]
  Type
Peptide
Brite
Bioactive peptides [BR:br08005]
 Neuropeptides
  Tachykinin
   C16097  Neurokinin A
Other DBs
PubChem: 47205407
ChEBI: 80311
NIKKAJI: J258.433F
KCF data

ATOM        79
            1   C1c C    41.8600  -23.5200
            2   N1b N    43.0500  -22.8200
            3   C5a C    44.2400  -23.5200
            4   C1c C    45.4300  -22.8200
            5   O5a O    44.2400  -24.9200
            6   C1b C    46.6200  -23.5200
            7   N1a N    45.4300  -21.4200
            8   C8y C    47.8100  -22.8200
            9   C8x C    49.0700  -23.3800
            10  N5x N    49.9800  -22.3300
            11  C8x C    49.3500  -21.2100
            12  N4x N    47.9500  -21.4900
            13  C1b C    41.8600  -24.9200
            14  C1b C    43.0500  -25.6200
            15  C1b C    43.0500  -27.0200
            16  C1b C    44.2400  -27.7200
            17  N1a N    44.2400  -29.1200
            18  C1a C     7.9800  -23.5200
            19  S2a S     9.1700  -22.8200
            20  C1b C    10.4300  -23.5200
            21  C1b C    11.6200  -22.8200
            22  C1c C    12.8100  -23.5200
            23  N1b N    14.0700  -22.8200
            24  C5a C    15.2600  -23.5200
            25  C1c C    16.4500  -22.8200
            26  N1b N    17.7100  -23.5200
            27  C5a C    18.9000  -22.8200
            28  C1b C    20.0900  -23.5200
            29  N1b N    21.2800  -22.8200
            30  C5a C    22.5400  -23.5200
            31  C1c C    23.7300  -22.8200
            32  N1b N    24.9200  -23.5200
            33  C5a C    26.1800  -22.8200
            34  C1c C    27.3700  -23.5200
            35  N1b N    28.5600  -22.8200
            36  C5a C    29.8200  -23.5200
            37  C1c C    31.0100  -22.8200
            38  N1b N    32.2000  -23.5200
            39  C5a C    33.4600  -22.8200
            40  C1c C    34.6500  -23.5200
            41  N1b N    35.8400  -22.8200
            42  C5a C    37.1000  -23.5200
            43  C1c C    38.2900  -22.8200
            44  O5a O    33.4600  -21.4200
            45  C1b C    31.0100  -21.4200
            46  O1a O    29.8200  -20.7200
            47  O5a O    29.8200  -24.9200
            48  C1b C    27.3700  -24.9200
            49  C8y C    26.1800  -25.6200
            50  C8x C    26.1800  -27.0200
            51  C8x C    24.9200  -27.7200
            52  C8x C    23.7300  -27.0200
            53  C8x C    23.7300  -25.6200
            54  C8x C    24.9200  -24.9200
            55  O5a O    26.1800  -21.4200
            56  C1c C    23.7300  -21.4200
            57  C1a C    22.5400  -20.7200
            58  O5a O    22.5400  -24.9200
            59  O5a O    18.9000  -21.4200
            60  C1b C    16.4500  -21.4200
            61  C1c C    15.2600  -20.7200
            62  C1a C    15.2600  -19.3200
            63  O5a O    15.2600  -24.9200
            64  C5a C    12.8100  -24.9200
            65  N1a N    11.6200  -25.6200
            66  O5a O    14.0000  -25.6200
            67  O5a O    37.1000  -24.9200
            68  N1b N    39.4800  -23.5200
            69  C5a C    40.6700  -22.8200
            70  C1b C    34.6500  -24.9200
            71  C6a C    33.4600  -25.6200
            72  O6a O    32.2700  -24.9200
            73  O6a O    33.4600  -27.0200
            74  O5a O    40.6700  -21.4200
            75  C1c C    38.2900  -21.4200
            76  C1a C    39.4800  -20.7200
            77  O1a O    37.1000  -20.7200
            78  C1a C    24.9453  -20.7249
            79  C1a C    14.0447  -21.4151
BOND        80
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     4   6 1
            6     4   7 1 #Up
            7     6   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12    8  12 1
            13    1  13 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 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   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   39  44 2
            44   37  45 1 #Down
            45   45  46 1
            46   36  47 2
            47   34  48 1 #Up
            48   48  49 1
            49   49  50 2
            50   50  51 1
            51   51  52 2
            52   52  53 1
            53   53  54 2
            54   49  54 1
            55   33  55 2
            56   31  56 1 #Down
            57   56  57 1
            58   30  58 2
            59   27  59 2
            60   25  60 1 #Down
            61   60  61 1
            62   61  62 1
            63   24  63 2
            64   22  64 1
            65   64  65 1
            66   64  66 2
            67   42  67 2
            68   43  68 1
            69   68  69 1
            70   40  70 1 #Up
            71   70  71 1
            72   71  72 2
            73   71  73 1
            74   69   1 1
            75   69  74 2
            76   43  75 1 #Down
            77   75  76 1
            78   75  77 1
            79   56  78 1
            80   61  79 1

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