KEGG   COMPOUND: C00374Help
Entry
C00374                      Compound                               

Name
Heparin;
Enoxaparin;
Bemiparin
Formula
(C26H40N2O36S5)n
Structure
Mol fileKCF fileDB search
Remark
Same as: D07510
Pathway
map04664  Fc epsilon RI signaling pathway
map05133  Pertussis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AB Heparin group
     B01AB01 Heparin
      D07510  Adomiparin (USAN)
     B01AB12 Bemiparin
      D07510  Adomiparin (USAN)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05B ANTIVARICOSE THERAPY
    C05BA Heparins or heparinoids for topical use
     C05BA03 Heparin
      D07510  Adomiparin (USAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA14 Heparin
      D07510  Adomiparin (USAN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Immune system
   Complement and coagulation
    SERPINC1 (AT3)
     D07510  Adomiparin (USAN)
BRITE hierarchy
Other DBs
CAS: 9005-49-6
PubChem: 3664
ChEBI: 28304
NIKKAJI: J293.322E
LinkDB All DBs
KCF data Show

ATOM        71
            1   C1y C    20.4913  -17.7526
            2   C1y C    21.6340  -18.4126
            3   C1y C    20.4913  -16.4396
            4   O2a O    18.8663  -18.7034
            5   C1y C    22.7624  -17.7526
            6   O2a O    21.6340  -19.7255
            7   O2x O    21.6340  -15.7868
            8   C1b C    19.3487  -15.7868
            9   C1y C    17.2411  -19.6333
            10  C1y C    22.7624  -16.4396
            11  N1b N    23.8348  -18.9726
            12  O1a O    18.2133  -16.4396
            13  C1y C    17.2411  -20.9461
            14  O2x O    16.1057  -18.9802
            15  O2a O    24.3874  -15.5100
            16  S4a S    25.7778  -18.9654
            17  C1y C    16.1057  -21.6061
            18  O2a O    18.7337  -22.5161
            19  C1y C    14.9630  -19.6333
            20  C1y C    26.0126  -14.5662
            21  O1d O    25.7706  -20.2783
            22  O1d O    25.7706  -17.6526
            23  O1d O    27.0976  -18.9654
            24  C1y C    14.9630  -20.9461
            25  O1a O    16.1057  -22.9189
            26  C6a C    13.8276  -18.9802
            27  C1y C    26.0126  -13.2534
            28  C1y C    27.1550  -15.2262
            29  O1a O    13.8204  -21.5989
            30  O6a O    12.6920  -19.6333
            31  O6a O    13.8276  -17.6674
            32  O2x O    27.1550  -12.6003
            33  C6a C    24.8770  -12.6003
            34  C1y C    28.2907  -14.5662
            35  O1a O    27.1550  -16.5462
            36  Z   *    11.0032  -21.5847
            37  C1y C    28.2907  -13.2534
            38  O6a O    23.7346  -13.2534
            39  O6a O    24.8770  -11.2875
            40  O2a O    30.7561  -15.9962
            41  O2a O    29.9229  -12.3093
            42  C1y C    31.5409  -11.3727
            43  C1y C    31.5409  -10.0597
            44  C1y C    32.6833  -12.0327
            45  O2x O    32.6833   -9.4069
            46  C1b C    30.4055   -9.4069
            47  C1y C    33.8190  -11.3727
            48  O1a O    32.6833  -13.3526
            49  C1x C    33.8190  -10.0597
            50  O2a O    29.0855   -9.3927
            51  N1b N    35.8644  -12.3127
            52  Z   *    36.2672   -8.6547
            53  S4a S    27.7725   -9.3855
            54  C5a C    35.8714  -13.6326
            55  O1d O    27.7655  -10.6985
            56  O1d O    27.7655   -8.0727
            57  O1d O    26.4596   -9.3785
            58  C1a C    37.0070  -14.2856
            59  O5a O    34.7290  -14.2856
            60  S4a S    18.7337  -23.9161
            61  O1d O    18.7337  -25.3161
            62  O1d O    20.1598  -23.9156
            63  O1d O    17.3602  -23.9165
            64  S4a S    21.6340  -21.1255
            65  O1d O    21.6340  -22.5255
            66  O1d O    23.0299  -21.1255
            67  O1d O    20.2301  -21.1254
            68  S4a S    30.7561  -17.3962
            69  O1d O    30.7561  -18.7962
            70  O1d O    32.1296  -17.3968
            71  O1d O    29.3304  -17.3956
BOND        74
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Up
            8     9   4 1 #Up
            9     5  10 1
            10    5  11 1 #Down
            11    8  12 1
            12    9  13 1
            13    9  14 1
            14   10  15 1 #Down
            15   11  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   14  19 1
            19   20  15 1 #Down
            20   16  21 1
            21   16  22 2
            22   16  23 2
            23   17  24 1
            24   17  25 1 #Up
            25   19  26 1 #Down
            26   20  27 1
            27   20  28 1
            28   24  29 1 #Down
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   27  33 1 #Up
            33   28  34 1
            34   28  35 1 #Up
            35   29  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 2
            39   34  40 1 #Down
            40   37  41 1 #Up
            41   42  41 1 #Down
            42   42  43 1
            43   42  44 1
            44   43  45 1
            45   43  46 1 #Up
            46   44  47 1
            47   44  48 1 #Up
            48   45  49 1
            49   46  50 1
            50   47  51 1 #Down
            51   49  52 1
            52   50  53 1
            53   51  54 1
            54   53  55 1
            55   53  56 2
            56   53  57 2
            57   54  58 1
            58   54  59 2
            59    7  10 1
            60   19  24 1
            61   34  37 1
            62   47  49 1
            63   18  60 1
            64   60  61 2
            65   60  62 2
            66   60  63 1
            67    6  64 1
            68   64  65 2
            69   64  66 2
            70   64  67 1
            71   40  68 1
            72   68  69 2
            73   68  70 2
            74   68  71 1
BRACKET     1    12.2500  -22.1900   12.2500  -20.8600
            1    34.8600   -8.6800   34.8600  -10.0100
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32
            1   33  34  35  37  38  39  40  41  42  43  44  45  46  47  48  49
            1   50  51  53  54  55  56  57  58  59  60  61  62  63  64  65  66
            1   67  68  69  70  71
 REPEAT    1

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