KEGG   COMPOUND: C04864
Entry
C04864                      Compound                               

Name
4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate
Formula
C14H21NO14S
Exact mass
459.0683
Mol weight
459.3798
Structure
Remark
Same as: G00353
Reaction
Enzyme
3.1.6.9         4.2.2.5         4.2.2.19        4.2.2.20        
4.2.2.21
Other DBs
PubChem: 7419
ChEBI: 15931
NIKKAJI: J2.676.517J
KCF data

ATOM        30
            1   C1y C    27.4694  -20.3315
            2   C1y C    26.3056  -19.6011
            3   C1y C    28.6516  -19.6011
            4   O2a O    27.5250  -22.3928
            5   C1y C    26.3056  -18.2393
            6   O2a O    25.1358  -20.2696
            7   C1y C    28.6516  -18.2393
            8   N1b N    29.8093  -20.5047
            9   C1y C    26.2872  -23.1602
            10  O2x O    27.4694  -17.5646
            11  C1b C    25.1358  -17.5646
            12  S4a S    23.7864  -20.2696
            13  O1a O    29.8154  -17.5646
            14  C5a C    31.5920  -19.9662
            15  O2x O    25.1049  -22.4856
            16  C1y C    26.2872  -24.5221
            17  O1a O    25.1358  -16.2213
            18  O1d O    23.7864  -18.9202
            19  O1d O    22.4371  -20.2696
            20  O1d O    23.7801  -21.6128
            21  C1a C    32.7556  -20.6349
            22  O5a O    31.5672  -18.6168
            23  C2y C    23.9412  -23.1602
            24  C1y C    25.1049  -25.2091
            25  O1a O    27.4570  -25.1967
            26  C2x C    23.9412  -24.5221
            27  C6a C    22.7774  -22.4856
            28  O1a O    25.1049  -26.5587
            29  O6a O    21.6076  -23.1602
            30  O6a O    22.7774  -21.1423
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     9   4 1 #Up
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Either
            13    8  14 1
            14    9  15 1
            15    9  16 1
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   12  20 2
            20   14  21 1
            21   14  22 2
            22   15  23 1
            23   16  24 1
            24   16  25 1 #Down
            25   23  26 2
            26   23  27 1
            27   24  28 1 #Up
            28   27  29 1
            29   27  30 2
            30    7  10 1
            31   24  26 1

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