COMPOUND: C22295
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Entry
C22295 Compound
Name
N-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-beta-D-glucosaminyl-R
Formula
C36H58N3O27R
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R12636
Enzyme
2.4.3.10
LinkDB
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KCF data
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ATOM 67
1 O2a O 19.4029 -17.6517
2 C1y C 19.4029 -16.3209
3 C1y C 20.5937 -15.6204
4 C1y C 18.2121 -15.6204
5 C1y C 20.5937 -14.2195
6 O1a O 21.8545 -16.3209
7 C1y C 18.2121 -14.2195
8 O1a O 17.2315 -16.4610
9 O2a O 21.7845 -13.5190
10 O2x O 19.4029 -13.5190
11 C1b C 17.0213 -13.5190
12 C1y C 21.8545 -12.1181
13 C1y C 23.0453 -11.4176
14 C1y C 20.5937 -11.4176
15 C1y C 23.0453 -10.0167
16 N1b N 24.3062 -12.1881
17 C1y C 20.5937 -10.0167
18 O1a O 19.4029 -12.0480
19 O2x O 21.8545 -9.3162
20 O2a O 24.2361 -9.3162
21 C1b C 19.4029 -9.3162
22 C1z C 17.9319 -18.8425
23 O2x O 16.7411 -18.0720
24 C1x C 17.9319 -20.1734
25 C6a C 19.1227 -19.4029
26 C1y C 15.5503 -18.8425
27 C1y C 16.7411 -20.8739
28 O6a O 20.3135 -18.7024
29 O6a O 19.1227 -20.8739
30 C1y C 15.5503 -20.1734
31 O1a O 16.7411 -22.2748
32 N1b N 14.2895 -20.8739
33 C5a C 14.2895 -22.3449
34 C1a C 13.0287 -23.1154
35 O5a O 15.5503 -23.1154
36 O2a O 18.2121 -10.0167
37 O1a O 15.7605 -14.1494
38 C1c C 14.2895 -18.0720
39 C1c C 13.0287 -18.7725
40 C1b C 11.8379 -18.0720
41 O1a O 10.5770 -18.7725
42 C5a C 25.4970 -11.4876
43 C1a C 26.6878 -12.1881
44 O5a O 25.4970 -10.2969
45 R R 25.6371 -9.3162
46 O1a O 14.2895 -16.6711
47 O1a O 13.0287 -19.8932
48 C1z C 16.7643 -8.9960
49 O2x O 15.5720 -8.2245
50 C1x C 16.7643 -10.3286
51 C1y C 14.3797 -8.9960
52 C1y C 15.5720 -11.0299
53 C1y C 14.3797 -10.3286
54 O1a O 15.5720 -12.4326
55 N1b N 13.1173 -11.0299
56 C5a C 13.1173 -12.5027
57 C1a C 11.8549 -13.2742
58 O5a O 14.3797 -13.2742
59 C1c C 13.1173 -8.2245
60 C1c C 11.8549 -8.9259
61 C1b C 10.6626 -8.2245
62 O1a O 9.4002 -8.9259
63 O1a O 13.1173 -6.8219
64 O1a O 11.8549 -10.0480
65 C6a C 17.4212 -7.8125
66 O6a O 18.8291 -7.7887
67 O6a O 16.7152 -6.6362
BOND 70
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 #Up
12 12 13 1
13 12 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 15 20 1 #Up
20 17 21 1 #Up
21 7 10 1
22 17 19 1
23 22 23 1
24 22 1 1 #Down
25 22 24 1
26 22 25 1 #Up
27 23 26 1
28 24 27 1
29 25 28 1
30 25 29 2
31 26 30 1
32 27 31 1 #Down
33 27 30 1
34 30 32 1 #Up
35 32 33 1
36 33 34 1
37 33 35 2
38 21 36 1
39 11 37 1
40 26 38 1 #Down
41 38 39 1
42 39 40 1
43 40 41 1
44 16 42 1
45 42 43 1
46 42 44 2
47 20 45 1
48 38 46 1 #Up
49 39 47 1 #Down
50 48 49 1
51 48 50 1
52 49 51 1
53 50 52 1
54 51 53 1
55 52 54 1 #Down
56 52 53 1
57 53 55 1 #Up
58 55 56 1
59 56 57 1
60 56 58 2
61 51 59 1 #Down
62 59 60 1
63 60 61 1
64 61 62 1
65 59 63 1 #Up
66 60 64 1 #Down
67 48 65 1 #Up
68 65 66 2
69 65 67 1
70 48 36 1 #Down
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