COMPOUND: C04847
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Entry
C04847 Compound
Name
alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine
Formula
C20H35NO16
Exact mass
545.1956
Mol weight
545.489
Structure
Mol file
KCF file
DB search
Remark
Same as:
G00304
Reaction
R04531
Enzyme
2.4.1.87
Other DBs
PubChem:
7404
ChEBI:
18217
62327
NIKKAJI:
J782.450E
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KCF data
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ATOM 37
1 C1y C 23.5298 -14.4102
2 C1y C 23.5298 -13.0197
3 O2a O 22.3287 -15.0929
4 C1y C 24.7181 -15.1118
5 O2x O 24.7181 -12.3306
6 C1b C 22.3351 -12.3306
7 C1y C 21.1405 -15.7819
8 C1y C 25.9254 -14.4102
9 O1a O 24.7117 -16.4899
10 C1y C 25.9254 -13.0197
11 O1a O 22.3351 -10.9589
12 C1y C 21.1405 -17.1725
13 O2x O 19.9331 -15.0991
14 N1b N 27.1391 -15.4469
15 O1a O 27.1138 -12.3306
16 C1y C 19.9331 -17.8804
17 O1a O 22.3351 -17.8614
18 C1y C 18.7449 -15.7819
19 C5a C 28.8394 -14.5556
20 O2a O 19.9331 -19.2521
21 C1y C 18.7449 -17.1725
22 C1b C 17.5565 -15.0991
23 C1a C 30.0276 -15.2447
24 O5a O 28.8330 -13.1839
25 C1y C 18.7449 -19.9410
26 O1a O 17.5501 -17.8551
27 O1a O 17.5565 -13.7212
28 O2x O 17.5374 -19.2521
29 C1y C 18.7449 -21.3316
30 C1y C 16.3492 -19.9410
31 C1y C 17.5374 -22.0333
32 O1a O 19.9331 -22.0144
33 C1y C 16.3492 -21.3316
34 C1b C 15.1546 -19.2521
35 O1a O 17.5312 -23.4049
36 O1a O 15.1546 -22.0144
37 O1a O 15.1546 -17.8804
BOND 39
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1 #Down
14 10 15 1 #Up
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 14 19 1
19 16 20 1 #Up
20 16 21 1
21 18 22 1 #Up
22 19 23 1
23 19 24 2
24 25 20 1 #Down
25 21 26 1 #Up
26 22 27 1
27 25 28 1
28 25 29 1
29 28 30 1
30 29 31 1
31 29 32 1 #Down
32 30 33 1
33 30 34 1 #Up
34 31 35 1 #Up
35 33 36 1 #Up
36 34 37 1
37 8 10 1
38 18 21 1
39 31 33 1
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