Entry |
|
Name |
Heparan sulfate;
Heparitin sulfate;
Heparin sulfate;
Heparin monosulfate
|
Formula |
(C12H15NO10(R1)(R2)3)n
|
Structure |

|
Remark |
|
Comment |
Generic compound in reaction hierarchy
R1 = OCH3 or SO3-
R2 = SO3- or H
|
Reaction |
|
Pathway |
map05418 | Fluid shear stress and atherosclerosis |
|
Module |
M00078 | Heparan sulfate degradation |
|
Enzyme |
|
Other DBs |
|
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
|