KEGG   COMPOUND: C07613Help
Entry
C07613                      Compound                               

Name
Nafarelin
Formula
C66H83N17O13
Exact mass
1321.6356
Mol weight
1322.4713
Structure
Mol fileKCF fileDB search
Remark
Same as: D08241
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01C HYPOTHALAMIC HORMONES
    H01CA Gonadotropin-releasing hormones
     H01CA02 Nafarelin
      D08241  Nafarelin (INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Nafarelin
   D08241  Nafarelin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D08241  Nafarelin (INN)
BRITE hierarchy
Other DBs
CAS: 76932-56-4
PubChem: 9815
ChEBI: 7445
NIKKAJI: J34.476A
LinkDB All DBs
KCF data Show

ATOM        96
            1   C8y C    18.8879  -14.0098
            2   C8y C    19.2919  -12.6851
            3   C1b C    17.6948  -14.6956
            4   C8x C    20.0153  -14.8084
            5   C8y C    20.6638  -12.6756
            6   C8x C    18.5874  -11.5106
            7   C1c C    17.6948  -16.0766
            8   N4x N    21.1147  -13.9815
            9   C8x C    21.3400  -11.4730
            10  C8x C    19.2639  -10.3079
            11  N1b N    16.5017  -16.7719
            12  C5a C    18.8879  -16.7719
            13  C8x C    20.6450  -10.2891
            14  C5a C    15.3086  -16.0766
            15  N1b N    20.0812  -16.0766
            16  O5a O    18.8879  -18.1435
            17  C1c C    14.1153  -16.7719
            18  O5a O    15.3086  -14.6956
            19  C1c C    21.2743  -16.7719
            20  C1b C    14.1153  -18.1435
            21  N1b N    12.9222  -16.0766
            22  C5a C    22.4769  -16.0766
            23  C1b C    21.2743  -18.1435
            24  C8y C    15.3086  -18.8292
            25  C5a C    11.7291  -16.7719
            26  N1b N    23.6608  -16.7719
            27  O5a O    22.4769  -14.6956
            28  O1a O    22.4769  -18.8292
            29  C8x C    16.5674  -18.2843
            30  N5x N    15.4495  -20.2103
            31  C1y C    10.5265  -16.0766
            32  O5a O    11.7291  -18.1435
            33  C1c C    24.8538  -16.0766
            34  N4x N    17.4883  -19.3085
            35  C8x C    16.8022  -20.5016
            36  C1x C     9.2770  -16.6308
            37  N1x N    10.3857  -14.6956
            38  C1b C    24.8538  -14.6956
            39  C5a C    26.0565  -16.7719
            40  C1x C     8.3561  -15.6069
            41  C5x C     9.0326  -14.4136
            42  C8y C    26.0565  -14.0098
            43  N1b N    27.2403  -16.0766
            44  O5a O    26.0469  -17.9743
            45  O5x O     8.4785  -13.1453
            46  C8x C    27.2307  -14.6956
            47  C8x C    26.0469  -12.6287
            48  C1c C    28.4426  -16.7719
            49  C8x C    28.4333  -14.0098
            50  C8x C    27.2307  -11.9427
            51  C1b C    28.4009  -18.9516
            52  C5a C    29.6360  -16.0766
            53  C8y C    28.4333  -12.6287
            54  C8y C    27.2683  -19.6278
            55  N1b N    30.8290  -16.7719
            56  O5a O    29.6360  -14.6956
            57  O1a O    29.6264  -11.9427
            58  C8x C    27.2779  -21.0089
            59  C8x C    26.0845  -18.9516
            60  C1c C    32.0221  -16.0766
            61  C8y C    26.0845  -21.7042
            62  C8x C    24.8914  -19.6373
            63  C5a C    33.2155  -16.7719
            64  C1b C    32.0221  -14.6956
            65  C8y C    24.8914  -21.0089
            66  C8x C    26.0845  -23.0853
            67  N1b N    34.4086  -16.0766
            68  O5a O    33.2155  -18.1435
            69  C1c C    33.2155  -14.0098
            70  C8x C    23.7076  -21.7042
            71  C8x C    24.8914  -23.7710
            72  C1c C    35.6016  -16.7719
            73  C1a C    34.4086  -14.6956
            74  C1a C    33.2155  -12.6287
            75  C8x C    23.7076  -23.0757
            76  C5a C    36.7950  -16.0766
            77  C1b C    35.6016  -18.1435
            78  N1y N    37.9881  -16.7719
            79  O5a O    36.7950  -14.6956
            80  C1b C    34.4086  -18.8292
            81  C1y C    39.3691  -16.7812
            82  C1x C    37.5560  -18.0871
            83  C1b C    34.4086  -20.2103
            84  C1x C    39.7920  -18.0966
            85  C5a C    40.5622  -16.0859
            86  C1x C    38.6738  -18.8952
            87  N1b N    33.2155  -20.9056
            88  N1b N    41.7553  -16.7812
            89  O5a O    40.5622  -14.7144
            90  C2c C    32.0221  -20.2103
            91  C1b C    41.8024  -19.7125
            92  N1a N    32.0221  -18.8292
            93  N2a N    30.8290  -20.9056
            94  C5a C    40.6094  -20.4076
            95  N1a N    40.6094  -21.7887
            96  O5a O    39.4067  -19.7125
BOND        103
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 1
            12    9  13 2
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 2
            27   23  28 1
            28   24  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 2
            32   26  33 1
            33   29  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 1
            37   33  38 1
            38   33  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 2
            44   41  45 2
            45   42  46 2
            46   42  47 1
            47   43  48 1
            48   46  49 1
            49   47  50 2
            50   48  51 1
            51   48  52 1
            52   49  53 2
            53   51  54 1
            54   52  55 1
            55   52  56 2
            56   53  57 1
            57   54  58 2
            58   54  59 1
            59   55  60 1
            60   58  61 1
            61   59  62 2
            62   60  63 1
            63   60  64 1
            64   61  65 2
            65   61  66 1
            66   63  67 1
            67   63  68 2
            68   64  69 1
            69   65  70 1
            70   66  71 2
            71   67  72 1
            72   69  73 1
            73   69  74 1
            74   70  75 2
            75   72  76 1
            76   72  77 1
            77   76  78 1
            78   76  79 2
            79   77  80 1
            80   78  81 1
            81   78  82 1
            82   80  83 1
            83   81  84 1
            84   81  85 1
            85   82  86 1
            86   83  87 1
            87   85  88 1
            88   85  89 2
            89   87  90 1
            90   88  91 1
            91   90  92 1
            92   90  93 2
            93   91  94 1
            94   94  95 1
            95   94  96 2
            96    5   8 1
            97   10  13 1
            98   34  35 1
            99   40  41 1
            100  50  53 1
            101  62  65 1
            102  71  75 1
            103  84  86 1

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