COMPOUND: C04907
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Entry
C04907 Compound
Name
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein
Formula
C25H41N2O19R
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R04596
Enzyme
2.4.3.6
Other DBs
PubChem:
7457
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KCF data
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ATOM 47
1 O2a O 28.8832 -25.0299
2 C1y C 28.8832 -23.7251
3 C1y C 30.0947 -23.0262
4 C1y C 27.6717 -23.0262
5 C1y C 30.0947 -21.6283
6 O1a O 31.3063 -23.6786
7 C1y C 27.6717 -21.6283
8 O1a O 26.6466 -23.8649
9 O2a O 31.3063 -20.9293
10 O2x O 28.8832 -20.9293
11 C1b C 26.5068 -20.9293
12 C1y C 32.4712 -20.2304
13 C1y C 32.4712 -18.8325
14 C1y C 33.6827 -20.9293
15 O2x O 33.6827 -18.1335
16 C1b C 31.3063 -18.1335
17 C1y C 34.8942 -20.2304
18 O1a O 33.6827 -22.3272
19 C1y C 34.8942 -18.8325
20 N1b N 36.0126 -21.0226
21 O2a O 36.1057 -18.1335
22 O1a O 30.0947 -18.8325
23 O1a O 25.2953 -21.6283
24 R R 37.5036 -18.1335
25 C1z C 27.4387 -26.1482
26 O2x O 26.2738 -25.4493
27 C1x C 27.4387 -27.4995
28 C6a C 28.6036 -26.7540
29 C1y C 25.0622 -26.1482
30 C1y C 26.2738 -28.1984
31 O6a O 29.7686 -26.0551
32 O6a O 28.6036 -28.1519
33 C1y C 25.0622 -27.4995
34 O1a O 26.2738 -29.5498
35 N1b N 23.8508 -28.1984
36 C1c C 23.8476 -25.4800
37 C1c C 22.6351 -26.1800
38 C1b C 21.4227 -25.4800
39 O1a O 20.2103 -26.1800
40 O1a O 23.8331 -24.0805
41 C5a C 23.8502 -29.6099
42 C1a C 22.6524 -30.3009
43 O5a O 25.0772 -30.3190
44 O1a O 22.6351 -27.2998
45 C5a C 37.1924 -20.3000
46 C1a C 38.4049 -21.0000
47 O5a O 37.1743 -19.0400
BOND 49
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 5 10 1
10 7 11 1 #Up
11 12 9 1 #Down
12 12 13 1
13 12 14 1
14 13 15 1
15 13 16 1 #Up
16 14 17 1
17 14 18 1 #Up
18 15 19 1
19 17 20 1 #Down
20 19 21 1 #Up
21 7 10 1
22 17 19 1
23 16 22 1
24 11 23 1
25 21 24 1
26 25 26 1
27 25 1 1 #Down
28 25 27 1
29 25 28 1 #Up
30 26 29 1
31 27 30 1
32 28 31 1
33 28 32 2
34 29 33 1
35 30 34 1 #Down
36 30 33 1
37 33 35 1 #Up
38 29 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 36 40 1 #Up
43 35 41 1
44 41 42 1
45 41 43 2
46 37 44 1 #Down
47 20 45 1
48 45 46 1
49 45 47 2
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