KEGG   COMPOUND: C00634
Entry
C00634                      Compound                               
Name
Chondroitin 4-sulfate;
Chondroitin sulfate A;
Chondroitin 4'-sulfate
Formula
(C14H21NO14S)n
Structure
Remark
Same as: D00080
Reaction
R02180 R10869 R10870
Pathway
map00531  Glycosaminoglycan degradation
map01100  Metabolic pathways
map05144  Malaria
Module
M00077  Chondroitin sulfate degradation
Enzyme
2.8.2.5         2.8.2.33        4.2.2.5         4.2.2.20        
4.2.2.21
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)
Other DBs
CAS: 24967-93-9
PubChem: 3907
ChEBI: 18250
NIKKAJI: J290.949I
LinkDB
KCF data

ATOM        32
            1   C1y C    28.0857  -20.4401
            2   C1y C    29.2862  -19.7466
            3   C1y C    29.2859  -18.3466
            4   O2x O    28.0733  -17.6469
            5   C1y C    26.8728  -18.3404
            6   C1y C    26.8731  -19.7404
            7   C1y C    23.8000  -22.8900
            8   C1x C    23.8000  -24.2900
            9   C1y C    25.0124  -24.9900
            10  C1y C    26.2249  -24.2900
            11  C1y C    26.2249  -22.8900
            12  O2x O    25.0124  -22.1900
            13  Z   *    18.9476  -25.4800
            14  O1a O    27.4560  -25.0010
            15  O1a O    25.0124  -26.3898
            16  C6a C    22.5876  -22.1900
            17  O2a O    28.0860  -22.2490
            18  O1a O    30.4814  -17.6557
            19  C1b C    25.6654  -17.6437
            20  O2a O    25.6662  -20.4376
            21  N1b N    30.4762  -20.4334
            22  O6a O    21.3921  -22.8804
            23  O6a O    22.5875  -20.7902
            24  C5a C    30.4766  -21.8397
            25  C1a C    31.6692  -22.5281
            26  Z   *    34.3937  -19.9477
            27  S4a S    24.4726  -19.7487
            28  O5a O    29.2444  -22.5517
            29  O1d O    23.2601  -19.0487
            30  O1d O    23.7836  -20.9428
            31  O1d O    25.1828  -18.5178
            32  O1a O    25.6654  -16.2437
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 #Up
            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    20.4400  -25.9000   20.4400  -22.1200
            1    33.0400  -17.7100   33.0400  -21.4900
            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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