KEGG   DRUG: Micafungin sodium hydrate
Entry
D11010                      Drug                                   
Name
Micafungin sodium hydrate (JAN)
Formula
C56H70N9O23S. Na. 2H2O
Exact mass
1327.4414
Mol weight
1328.2868
Structure
Simcomp
Remark
Therapeutic category: 6179
ATC code: J02AX05
Chemical structure group: DG00637
Product (DG00637): D02465<JP/US> D11010<JP>
Efficacy
Antifungal, Cell wall biosynthesis inhibitor
Comment
Echinocandins
Target
beta-1,3-glucan synthase [KO:K00706]
  Pathway
ko00500  Starch and sucrose metabolism
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AX Other antimycotics for systemic use
     J02AX05 Micafungin
      D11010  Micafungin sodium hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   617  Acting mainly on mold
    6179  Others
     D11010  Micafungin sodium hydrate (JAN)
Antimicrobials [BR:br08307]
 Antifungals
  Cell membrane function inhibitor
   Echinocandin
    D11010  Micafungin sodium hydrate (JAN) <JP>
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Cell membrane function inhibitor
   Echinocandin
    DG00637  Micafungin
Other DBs
PubChem: 346930788
LinkDB
KCF data

ATOM        92
            1   C8x C    31.7646  -13.0137
            2   C8x C    31.7646  -14.4130
            3   C8y C    32.9541  -15.1127
            4   C8x C    34.2135  -14.4130
            5   C8y C    34.2135  -13.0137
            6   C8y C    32.9541  -12.3140
            7   O1a O    32.9541  -10.9147
            8   O2a O    35.4029  -12.3140
            9   C1c C    32.9541  -16.5120
            10  C1c C    31.7646  -17.2117
            11  O1a O    34.1435  -17.2117
            12  S4a S    36.8022  -12.3140
            13  O1d O    36.8022  -13.7134
            14  O1d O    36.8022  -10.9147
            15  O1d O    38.2015  -12.3140 #-
            16  C1c C    30.5053  -16.5120
            17  N1b N    30.5053  -15.1127
            18  C5a C    29.3158  -17.2117
            19  N1b N    29.3158  -18.6110
            20  O5a O    28.1264  -16.5120
            21  C1c C    28.1264  -19.3107
            22  C5a C    26.9370  -18.6110
            23  C1c C    28.1264  -20.7100
            24  C1b C    29.3158  -21.4097
            25  O1a O    26.9370  -21.4097
            26  C5a C    29.3158  -22.8090
            27  O5a O    28.1264  -23.5086
            28  N1a N    30.5053  -23.5086
            29  N1y N    25.7685  -19.4754
            30  C1y C    24.6551  -18.6603
            31  O5a O    26.9370  -17.2117
            32  C5a C    24.4882  -17.2117
            33  O5a O    25.6776  -16.5120
            34  C1y C    23.5129  -19.5299
            35  C1y C    23.9438  -20.8390
            36  C1x C    25.3501  -20.8398
            37  N1b N    23.2987  -16.5120
            38  C5a C    29.3158  -14.4130
            39  C1y C    29.3515  -12.9645
            40  N1y N    28.2730  -12.1036
            41  C5a C    26.8670  -13.0137
            42  C1c C    25.6776  -12.3140
            43  O5a O    26.8670  -14.4130
            44  C1c C    25.6776  -10.9147
            45  C1a C    26.8670  -10.2151
            46  O1a O    24.4882  -10.2151
            47  C1x C    30.5191  -12.2125
            48  C1y C    30.1530  -10.8173
            49  C1x C    28.7380  -10.8272
            50  O5a O    28.1264  -15.1127
            51  O1a O    31.0138   -9.7388
            52  N1b N    24.4882  -13.0137
            53  C5a C    23.2987  -12.3140
            54  C1c C    22.1093  -13.0137
            55  O5a O    23.2987  -10.9147
            56  N1b N    20.9199  -12.3140
            57  C1b C    22.1093  -14.4130
            58  C1c C    21.1298  -15.3926
            59  C1c C    21.8994  -16.8619
            60  O1a O    19.7305  -15.6025
            61  O1a O    21.4097  -18.1912
            62  O1a O    22.2252  -19.0489
            63  C1a C    23.1287  -21.9525
            64  O1a O    31.7646  -18.6110
            65  C5a C    19.7305  -13.0137
            66  C8y C    18.5410  -12.3140
            67  O5a O    19.7305  -14.4130
            68  C8x C    18.5410  -10.9147
            69  C8x C    17.2816  -10.2151
            70  C8y C    16.0922  -10.9147
            71  C8x C    16.0922  -12.3140
            72  C8x C    17.2816  -13.0137
            73  C8y C    14.9028  -10.2151
            74  O2x O    13.0837   -8.8857
            75  N5x N    14.4830   -8.8857
            76  C8y C    12.6639  -10.2151
            77  C8x C    13.7833  -11.0547
            78  C8y C    11.4045  -10.9147
            79  C8x C    10.2151  -10.2151
            80  C8x C     8.9557  -10.8448
            81  C8y C     8.9557  -12.2441
            82  C8x C    10.1451  -13.0137
            83  C8x C    11.4045  -12.3140
            84  O2a O     7.7662  -12.9437
            85  C1b C     6.5768  -12.2441
            86  C1b C     5.3174  -12.9437
            87  C1b C     4.1280  -12.1741
            88  C1b C     2.9386  -12.8738
            89  C1a C     1.7492  -12.1741
            90  Z   Na   39.8108  -12.3840 #+
            91  O0  O    39.4100  -19.1800
            92  O0  O    39.4100  -21.1400
BOND        95
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1
            9     3   9 1
            10    9  10 1
            11    9  11 1 #Down
            12    8  12 1
            13   12  13 2
            14   12  14 2
            15   12  15 1
            16   10  16 1
            17   16  17 1 #Up
            18   16  18 1
            19   18  19 1
            20   18  20 2
            21   21  19 1 #Up
            22   21  22 1
            23   21  23 1
            24   23  24 1
            25   23  25 1 #Up
            26   24  26 1
            27   26  27 2
            28   26  28 1
            29   22  29 1
            30   29  30 1
            31   22  31 2
            32   30  32 1 #Up
            33   32  33 2
            34   30  34 1
            35   34  35 1
            36   35  36 1
            37   29  36 1
            38   32  37 1
            39   17  38 1
            40   39  38 1 #Up
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   41  43 2
            45   42  44 1
            46   44  45 1
            47   44  46 1 #Down
            48   39  47 1
            49   47  48 1
            50   48  49 1
            51   40  49 1
            52   38  50 2
            53   48  51 1 #Down
            54   42  52 1 #Up
            55   52  53 1
            56   53  54 1
            57   53  55 2
            58   54  56 1 #Down
            59   54  57 1
            60   57  58 1
            61   37  59 1
            62   58  59 1
            63   58  60 1 #Down
            64   59  61 1 #Down
            65   34  62 1 #Down
            66   35  63 1 #Down
            67   10  64 1 #Up
            68   56  65 1
            69   65  66 1
            70   65  67 2
            71   66  68 2
            72   68  69 1
            73   69  70 2
            74   70  71 1
            75   71  72 2
            76   66  72 1
            77   70  73 1
            78   74  75 1
            79   74  76 1
            80   76  77 2
            81   77  73 1
            82   75  73 2
            83   76  78 1
            84   78  79 2
            85   79  80 1
            86   80  81 2
            87   81  82 1
            88   82  83 2
            89   78  83 1
            90   81  84 1
            91   84  85 1
            92   85  86 1
            93   86  87 1
            94   87  88 1
            95   88  89 1

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