COMPOUND: C04864
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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
Mol file
KCF file
DB search
Remark
Same as:
G00353
Reaction
R03517
R10870
R10871
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
LinkDB
All DBs
KCF data
Show
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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