KEGG   COMPOUND: C00925
Entry
C00925                      Compound                               
Name
Heparan sulfate;
Heparitin sulfate;
Heparin sulfate;
Heparin monosulfate
Formula
(C12H15NO10(R1)3(R2))n
Structure
Remark
Same as: D08536
Comment
Generic compound in reaction hierarchy
R1 = SO3- or H
R2 = COCH3 or SO3-
Reaction
Pathway
map00531  Glycosaminoglycan degradation
map01100  Metabolic pathways
map03260  Virion - Human immunodeficiency virus
map03264  Virion - Flavivirus
map03268  Virion - Orthopoxvirus
map05205  Proteoglycans in cancer
map05418  Fluid shear stress and atherosclerosis
Module
M00078  Heparan sulfate degradation
Network
nt06012  Glycosaminoglycan degradation
Enzyme
3.2.1.166       3.2.1.-
Brite
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01709  Heparin anticoagulant
    D08536  Suleparoid
Other DBs
CAS: 9050-30-0
PubChem: 4179
ChEBI: 28815
NIKKAJI: J246.966I
LinkDB
KCF data

ATOM        29
            1   C1y C    36.4000  -16.1700
            2   C1y C    36.4000  -17.5700
            3   C1y C    37.5900  -18.2700
            4   C1y C    38.8500  -17.5700
            5   C1y C    38.8500  -16.1700
            6   O2x O    37.5900  -15.4700
            7   O1a O    37.5900  -19.6700
            8   C6a C    35.2100  -15.4700
            9   O6a O    34.0200  -16.1700
            10  O2a O    40.3900  -15.3300
            11  O6a O    35.2100  -14.0700
            12  C1y C    42.0000  -13.0200
            13  C1y C    42.0000  -14.4200
            14  C1y C    43.1900  -15.1200
            15  C1y C    44.4500  -14.4200
            16  C1x C    44.4500  -13.0200
            17  O2x O    43.1900  -12.3200
            18  O2a O    43.1900  -16.5200
            19  C1b C    40.8100  -12.3200
            20  Z   *    48.4400  -11.6900
            21  N1b N    45.6400  -15.1200
            22  O1a O    35.2100  -18.2700
            23  Z   *    30.7300  -18.2700
            24  O2a O    39.6200  -13.0200
            25  Z   R#   37.6600  -13.0200
            26  O2a O    40.0400  -18.2700
            27  Z   R#   45.6400  -16.6600
            28  Z   R#   40.0400  -19.8100
            29  Z   R#   43.1900  -18.0600
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     3   7 1 #Up
            8     1   8 1 #Either
            9     8   9 1
            10    5  10 1 #Up
            11    8  11 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   12  17 1
            18   14  18 1 #Up
            19   12  19 1 #Up
            20   13  10 1 #Down
            21   16  20 1 #Down
            22   15  21 1 #Down
            23    2  22 1 #Down
            24   22  23 1
            25   19  24 1
            26   24  25 1
            27    4  26 1 #Down
            28   21  27 1
            29   26  28 1
            30   18  29 1
BRACKET     1    32.3400  -20.7200   32.3400  -10.9900
            1    47.1800  -10.9900   47.1800  -20.7200
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  18  19  21  22  24  25  26  27  28  29
 REPEAT    1

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