KEGG   COMPOUND: C00607Help
Entry
C00607                      Compound                               

Name
Chondroitin sulfate
Formula
(C14H18NO11R3)n
Structure
Mol fileKCF fileDB search
Remark
ATC code: M01AX25
Drug group: DG00762
Comment
Generic compound
R = SO3- or H
Pathway
map05205  Proteoglycans in cancer
map05418  Fluid shear stress and atherosclerosis
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
      C00607  Chondroitin sulfate
BRITE hierarchy
Other DBs
CAS: 9007-28-7
PubChem: 3882
ChEBI: 37397
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1y C    22.4000  -15.8900
            2   C1y C    23.5900  -15.1900
            3   C1x C    23.5900  -13.7900
            4   O2x O    22.4000  -13.0900
            5   C1y C    21.2100  -13.7900
            6   C1y C    21.2100  -15.1900
            7   C1y C    18.1300  -18.3400
            8   C1y C    18.1300  -19.7400
            9   C1y C    19.3200  -20.4400
            10  C1y C    20.5800  -19.7400
            11  C1y C    20.5800  -18.3400
            12  O2x O    19.3200  -17.6400
            13  O1a O    15.8200  -20.3000
            14  O2a O    21.7700  -20.4400
            15  O1a O    19.3200  -21.8400
            16  C6a C    16.9400  -17.6400
            17  O2a O    22.4000  -17.7100
            18  Z   *    25.9700  -12.3900
            19  C1b C    20.0200  -13.0900
            20  O2a O    20.0200  -15.8900
            21  N1b N    24.7800  -15.8900
            22  O6a O    15.7500  -18.3400
            23  O6a O    16.9400  -16.2400
            24  C5a C    24.7800  -17.2900
            25  C1a C    25.9700  -17.9900
            26  O5a O    23.5900  -17.9900
            27  O2a O    20.0200  -11.6900
            28  R   R    21.6524  -10.6400
            29  R   R    18.5219  -14.9199
            30  R   R    23.4081  -19.4699
            31  Z   *    13.4541  -18.5166
BOND        32
            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   24  26 2
            28   19  27 1
            29   27  28 1
            30   20  29 1
            31   14  30 1
            32   13  31 1
BRACKET     1    14.7000  -20.5800   14.7000  -17.5700
            1    24.8500  -11.5500   24.8500  -14.2100
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  19  20  21  22  23  24  25  26  27  28  29  30
 REPEAT    1

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