KEGG   COMPOUND: C00925
Entry
C00925                      Compound                               

Name
Heparan sulfate;
Heparitin sulfate;
Heparin sulfate;
Heparin monosulfate
Formula
(C12H15NO10(R1)(R2)3)n
Structure
Remark
Same as: D08536
Comment
Generic compound in reaction hierarchy
R1 = OCH3 or SO3-
R2 = SO3- or H
Reaction
Pathway
map00531  Glycosaminoglycan degradation
map01100  Metabolic pathways
map05205  Proteoglycans in cancer
map05418  Fluid shear stress and atherosclerosis
Module
M00078  Heparan sulfate degradation
Enzyme
3.2.1.166       3.2.1.-
Other DBs
CAS: 9050-30-0
PubChem: 4179
ChEBI: 28815
NIKKAJI: J246.966I
KCF data

ATOM        29
            1   O2a O    18.8300  -15.7500
            2   C1y C    20.3700  -14.9100
            3   C1y C    20.3700  -13.6500
            4   C1y C    21.4200  -15.5400
            5   O2x O    21.4200  -13.0200
            6   C1b C    19.2500  -13.0200
            7   C1y C    22.5400  -14.9100
            8   O2a O    21.3500  -17.0100
            9   C1x C    22.5400  -13.6500
            10  O2a O    17.9900  -13.0200
            11  N1b N    24.4300  -15.7500
            12  Z   R#   24.4300  -17.5700
            13  Z   R#   17.9900  -11.3400
            14  Z   R#   21.3500  -18.8300
            15  C1y C    15.0500  -17.9200
            16  C1y C    15.0500  -16.6600
            17  C1y C    16.1700  -18.5500
            18  O2x O    16.1700  -16.0300
            19  C1y C    17.2200  -17.9200
            20  O1a O    16.1700  -19.8100
            21  C1y C    17.2200  -16.6600
            22  O2a O    19.3900  -19.1100
            23  C6a C    14.0000  -16.0300
            24  O6a O    12.9500  -16.6600
            25  O6a O    14.0000  -14.7700
            26  O1a O    12.6700  -18.8300
            27  Z   *    25.4430  -12.8669
            28  Z   R#   19.3900  -21.0000
            29  Z   *    10.4325  -17.9011
BOND        30
            1     2   1 1 #Down
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Up
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1
            9     6  10 1
            10    7  11 1 #Down
            11   11  12 1
            12    7   9 1
            13   10  13 1
            14    8  14 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1 #Up
            20   18  21 1
            21   19  22 1 #Down
            22   19  21 1
            23   23  24 1
            24   23  25 2
            25   16  23 1 #Either
            26   15  26 1 #Down
            27   21   1 1 #Either
            28    9  27 1 #Down
            29   22  28 1
            30   26  29 1
BRACKET     1    11.8300  -19.8800   11.8300  -17.4300
            1    23.6600  -11.9700   23.6600  -14.4900
            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  28
 REPEAT    1

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KEGG   COMPOUND: C00607
Entry
C00607                      Compound                               

Name
Chondroitin sulfate
Formula
(C14H18NO11R3)n
Structure
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
Other DBs
CAS: 9007-28-7
PubChem: 3882
ChEBI: 37397
KCF data

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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KEGG   COMPOUND: C00518
Entry
C00518                      Compound                               

Name
Hyaluronate;
Hyaluronic acid;
Hyaluronan;
[beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n
Formula
(C14H21NO12)n
Structure
Remark
Same as: D08043 G10505
Reaction
Pathway
map04613  Neutrophil extracellular trap formation
map05418  Fluid shear stress and atherosclerosis
Enzyme
2.4.1.212       4.2.2.1
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D03 PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
   D03A CICATRIZANTS
    D03AX Other cicatrizants
     D03AX05 Hyaluronic acid
      D08043  Hyaluronic acid (BAN)
 M MUSCULO-SKELETAL SYSTEM
  M09 OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
   M09A OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
    M09AX Other drugs for disorders of the musculo-skeletal system
     M09AX01 Hyaluronic acid
      D08043  Hyaluronic acid (BAN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AX Other nasal preparations
     R01AX09 Hyaluronic acid
      D08043  Hyaluronic acid (BAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01K SURGICAL AIDS
    S01KA Viscoelastic substances
     S01KA01 Hyaluronic acid
      D08043  Hyaluronic acid (BAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Hyaluronic acid
    D08043  Hyaluronic acid (BAN)
Other DBs
CAS: 9004-61-9
PubChem: 3801
ChEBI: 16336
NIKKAJI: J209.196H
KCF data

ATOM        29
            1   C1y C    14.8400  -15.1200
            2   C1y C    14.8400  -16.5200
            3   C1y C    16.0524  -17.2200
            4   C1y C    17.2649  -16.5200
            5   C1y C    17.2649  -15.1200
            6   O2x O    16.0524  -14.4200
            7   C1b C    13.6276  -14.4200
            8   O2a O    18.4960  -14.4090
            9   O1a O    16.0524  -18.6198
            10  Z   *    10.6232  -22.1297
            11  O1a O    13.6276  -17.2200
            12  N1b N    18.4960  -17.2310
            13  O1a O    12.4321  -15.1104
            14  C1y C    19.7084  -13.7090
            15  C1y C    20.9492  -14.4255
            16  C1y C    22.1617  -13.7257
            17  C1y C    22.1619  -12.3257
            18  O2x O    20.9211  -11.6091
            19  C1y C    19.7086  -12.3090
            20  O1a O    20.9490  -15.8199
            21  C6a C    18.5246  -11.6251
            22  O6a O    17.3334  -12.3127
            23  O6a O    18.5248  -10.2202
            24  O1a O    23.3978  -11.6121
            25  Z   *    26.7002  -12.3064
            26  O1a O    23.3926  -14.4368
            27  C5a C    18.4960  -18.6310
            28  O5a O    17.2765  -19.3352
            29  C1a C    19.6917  -19.3213
BOND        30
            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     1   7 1 #Up
            8     5   8 1 #Up
            9     3   9 1 #Up
            10    9  10 1
            11    2  11 1 #Down
            12    4  12 1 #Down
            13    7  13 1
            14   14   8 1 #Down
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   15  20 1 #Up
            22   19  21 1 #Up
            23   21  22 1
            24   21  23 2
            25   17  24 1 #Up
            26   24  25 1
            27   16  26 1 #Down
            28   12  27 1
            29   27  28 2
            30   27  29 1
BRACKET     1    13.9300  -20.7900   13.9300  -19.0400
            1    24.5000  -11.1300   24.5000  -12.8800
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  11  12  13  14  15  16  17
            1   18  19  20  21  22  23  24  26  27  28  29
 REPEAT    1

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Chemical substance (6)   
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