KEGG   COMPOUND: C00426Help
Entry
C00426                      Compound                               

Name
Dermatan sulfate
Formula
(C14H18NO11R3)n
Structure
Mol fileKCF fileDB search
Remark
ATC code: B01AX04
Comment
Generic compound in reaction hierarchy
R = SO3- or H
Reaction
Pathway
map00531  Glycosaminoglycan degradation
map01100  Metabolic pathways
map05205  Proteoglycans in cancer
Module
M00076  Dermatan sulfate degradation
Enzyme
3.2.-.-
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AX Other antithrombotic agents
     B01AX04 Dermatan sulfate
      C00426  Dermatan sulfate
BRITE hierarchy
Other DBs
CAS: 24967-94-0
PubChem: 3716
ChEBI: 18376
NIKKAJI: J290.950B
KCF data Show

ATOM        31
            1   O1a O    14.5872  -20.1683
            2   C1y C    16.4296  -19.1183
            3   C1y C    17.6536  -19.8251
            4   C1y C    18.8661  -19.1253
            5   C1y C    18.8663  -17.7253
            6   O2x O    17.6423  -17.0184
            7   C1y C    16.4298  -17.7183
            8   O1a O    17.6533  -21.2099
            9   O2a O    20.1107  -17.0070
            10  C1y C    20.1107  -15.6070
            11  O2a O    20.0967  -19.8366
            12  C1y C    21.3062  -14.9166
            13  C1x C    21.3061  -13.5166
            14  O2x O    20.0936  -12.8167
            15  C1y C    18.8981  -13.5071
            16  C1y C    18.8982  -14.9071
            17  O2a O    17.6859  -15.6071
            18  Z   *    23.4816  -11.7060
            19  N1b N    22.4961  -15.6036
            20  C5a C    23.6824  -14.9100
            21  C1a C    24.8949  -15.6100
            22  O5a O    23.6786  -13.5101
            23  C1b C    17.6883  -12.8088
            24  O2a O    17.7583  -11.1987
            25  R   R    19.5148   -9.8824
            26  R   R    16.0029  -14.2182
            27  R   R    21.8058  -18.9237
            28  Z   *    12.3749  -19.6574
            29  C6a C    15.2292  -17.0247
            30  O6a O    14.0461  -17.7075
            31  O6a O    15.2291  -15.6103
BOND        32
            1     2   1 1 #Down
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     3   8 1 #Up
            9     5   9 1 #Up
            10   10   9 1 #Up
            11    4  11 1 #Down
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   10  16 1
            18   16  17 1 #Up
            19   13  18 1 #Up
            20   12  19 1 #Down
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   15  23 1 #Up
            25   23  24 1
            26   24  25 1
            27   17  26 1
            28   11  27 1
            29    1  28 1
            30   29  30 1
            31   29  31 2
            32    7  29 1 #Down
BRACKET     1    14.0000  -21.2100   14.0000  -18.7600
            1    21.7000  -11.4800   21.7000  -13.9300
            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  29  30  31
 REPEAT    1

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