KEGG   COMPOUND: C00634Help
Entry
C00634                      Compound                               

Name
Chondroitin 4-sulfate;
Chondroitin sulfate A;
Chondroitin 4'-sulfate
Formula
(C14H21NO14S)n
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Glycosaminoglycan degradation
Metabolic pathways
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)
BRITE hierarchy
Other DBs
CAS: 
24967-93-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

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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