KEGG   COMPOUND: C00925Help
Entry
C00925                      Compound                               

Name
Heparan sulfate;
Heparitin sulfate;
Heparin sulfate;
Heparin monosulfate
Formula
(C12H15NO10(R1)(R2)3)n
Structure
Mol fileKCF fileDB search
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
LinkDB All DBs
KCF data Show

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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