KEGG   DRUG: Chondroitin sulfate AHelp
Entry
D00080                      Drug                                   

Name
Chondroitin sulfate A (JAN)
Formula
(C14H21NO14S)n
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00634
ATC code: M01AX25
Chemical structure group: DG00762
Product (DG00762): D04078<JP>
Efficacy
Analgesic, Anti-inflammatory
Comment
Component of Danaparoid sodium [DR:D03644]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AX Other antiinflammatory and antirheumatic agents, non-steroids
     M01AX25 Chondroitin sulfate
      D00080  Chondroitin sulfate A (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Chondroitin sulfate A
    D00080  Chondroitin sulfate A (JAN)
BRITE hierarchy
Other DBs
CAS: 24967-93-9
PubChem: 7847148
ChEBI: 18250
NIKKAJI: J290.949I
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1y C    19.5457  -15.2601
            2   C1y C    20.7462  -14.5666
            3   C1y C    20.7459  -13.1666
            4   O2x O    19.5333  -12.4669
            5   C1y C    18.3328  -13.1604
            6   C1y C    18.3331  -14.5604
            7   C1y C    15.2600  -17.7100
            8   C1x C    15.2600  -19.1100
            9   C1y C    16.4724  -19.8100
            10  C1y C    17.6849  -19.1100
            11  C1y C    17.6849  -17.7100
            12  O2x O    16.4724  -17.0100
            13  Z   *    11.4576  -20.9300
            14  O1a O    18.9160  -19.8210
            15  O1a O    16.4724  -21.2098
            16  C6a C    14.0476  -17.0100
            17  O2a O    19.5460  -17.0690
            18  O1a O    21.9414  -12.4757
            19  C1b C    17.1254  -12.4637
            20  O2a O    17.1262  -15.2576
            21  N1b N    21.9362  -15.2534
            22  O6a O    12.8521  -17.7004
            23  O6a O    14.0475  -15.6102
            24  C5a C    21.9366  -16.6597
            25  C1a C    23.1292  -17.3481
            26  Z   *    25.8537  -14.7677
            27  S4a S    15.9326  -14.5687
            28  O5a O    20.7044  -17.3717
            29  O1d O    14.7201  -13.8687
            30  O1d O    15.2436  -15.7628
            31  O1d O    16.6428  -13.3378
            32  O1a O    17.1254  -11.0637
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13    8  13 1 #Down
            14   10  14 1 #Down
            15    9  15 1 #Up
            16    7  16 1 #Up
            17   11  17 1 #Up
            18    1  17 1 #Up
            19    3  18 1 #Up
            20    5  19 1 #Up
            21    6  20 1 #Down
            22    2  21 1 #Down
            23   16  22 1
            24   16  23 2
            25   21  24 1
            26   24  25 1
            27   18  26 1
            28   20  27 1
            29   24  28 2
            30   27  29 1
            31   27  30 2
            32   27  31 2
            33   19  32 1
BRACKET     1    12.6000  -21.7000   12.6000  -10.6400
            1    24.5700  -10.6400   24.5700  -21.7000
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  14  15  16  17
            1   18  19  20  21  22  23  24  25  27  28  29  30  31  32
 REPEAT    1

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