KEGG   COMPOUND: C22549
Entry
C22549                      Compound                               
Name
[Heparan sulfate]-glucosamine
Formula
C12H16NO11R2(R1)3
Structure
Comment
Generic compound in reaction hierarchy
The disaccharide repeating unit is shown here.
R = linear heparan sulfate (HS) chain
R1 = SO3H or H
Reaction
R05798
Enzyme
2.8.2.23        2.8.2.29        2.8.2.30
Other DBs
PubChem: 497619908
LinkDB
KCF data

ATOM        29
            1   C1y C    14.4900  -16.1000
            2   C1y C    14.4900  -17.5000
            3   C1y C    15.6800  -18.2000
            4   C1y C    16.9400  -17.5000
            5   C1y C    16.9400  -16.1000
            6   O2x O    15.6800  -15.4000
            7   O1a O    15.6800  -19.6000
            8   C6a C    13.3000  -15.4000
            9   O6a O    12.1100  -16.1000
            10  O2a O    18.4800  -15.2600
            11  O6a O    13.3000  -14.0000
            12  C1y C    20.0900  -12.9500
            13  C1y C    20.0900  -14.3500
            14  C1y C    21.2800  -15.0500
            15  C1y C    22.5400  -14.3500
            16  C1y C    22.5400  -12.9500
            17  O2x O    21.2800  -12.2500
            18  O1a O    21.2800  -16.4500
            19  C1b C    18.9000  -12.2500
            20  O2a O    23.7300  -12.2500
            21  N1b N    23.7300  -15.0500
            22  R   R    26.8800  -12.2500
            23  O2a O    13.2747  -18.1951
            24  R   R    10.4524  -18.1827
            25  O2a O    17.6819  -12.9401
            26  Z   R#   15.5205  -12.9450
            27  O2a O    18.1466  -18.2100
            28  Z   R#   18.1466  -19.7500
            29  Z   R#   25.1300  -15.0500
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   20  22 1
            24    2  23 1 #Down
            25   23  24 1
            26   19  25 1
            27   25  26 1
            28    4  27 1 #Down
            29   27  28 1
            30   21  29 1

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