COMPOUND: C04886
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Entry
C04886 Compound
Name
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
Formula
C25H42N2O19
Exact mass
674.2382
Mol weight
674.60
Structure
Mol file
KCF file
DB search
Remark
Same as:
G00255
Reaction
R04532
Pathway
map03261
Virion - Influenza virus
Enzyme
2.4.3.1
Other DBs
PubChem:
7438
ChEBI:
17725
PDB-CCD:
4U1
[
PDBj
]
NIKKAJI:
J842.303B
LinkDB
All DBs
KCF data
Show
ATOM 46
1 O1a O 25.9764 -14.3892
2 C1y C 22.4386 -15.0967
3 O2x O 23.6179 -14.3892
4 C1y C 22.4386 -16.4646
5 C1y C 24.7972 -15.0967
6 C1y C 23.6179 -17.1250
7 O2a O 21.2594 -17.1250
8 C1y C 24.7972 -16.4646
9 O1a O 23.6179 -18.4929
10 N1b N 25.9296 -17.2186
11 C1b C 21.2122 -14.3892
12 C1b C 16.2593 -17.3136
13 C1y C 17.4386 -17.9742
14 O2x O 18.5707 -17.3136
15 C1y C 17.4386 -19.3420
16 C1y C 19.7971 -17.9742
17 C1y C 18.5707 -20.0024
18 O1a O 16.2593 -20.0024
19 C1y C 19.7971 -19.3420
20 O1a O 18.6178 -21.3704
21 O1a O 20.9764 -20.0024
22 O1a O 19.9858 -15.0967
23 O2a O 15.0329 -18.0212
24 C1z C 13.8064 -17.3136
25 O2x O 12.6272 -16.6061
26 C1x C 13.8064 -18.6817
27 C1y C 11.4007 -17.3136
28 C1y C 12.6272 -19.3893
29 C1y C 11.4007 -18.6817
30 O1a O 12.6272 -20.7572
31 C1c C 10.1743 -16.5590
32 C1c C 10.1743 -15.1438
33 C1b C 8.9007 -14.3892
34 O1a O 8.9007 -12.9268
35 O1a O 8.9007 -17.3136
36 O1a O 11.4007 -14.2492
37 N1b N 10.1743 -19.3893
38 C5a C 10.1743 -20.8514
39 C1a C 8.9007 -21.5590
40 O5a O 11.4007 -21.5590
41 C6a C 14.5139 -16.2272
42 O6a O 15.9290 -16.2272
43 O6a O 13.8064 -15.0009
44 C5a C 25.9091 -18.6274
45 O5a O 24.6835 -19.3115
46 C1a C 27.1145 -19.3468
BOND 48
1 6 8 1
2 2 11 1 #Up
3 2 3 1
4 2 4 1
5 3 5 1
6 4 6 1
7 4 7 1 #Down
8 5 8 1
9 5 1 1 #Up
10 6 9 1 #Up
11 8 10 1 #Down
12 13 12 1 #Up
13 13 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 1 #Up
18 16 19 1
19 16 7 1 #Up
20 17 20 1 #Up
21 19 21 1 #Down
22 17 19 1
23 11 22 1
24 12 23 1
25 24 25 1
26 24 26 1
27 25 27 1
28 26 28 1
29 27 29 1
30 28 30 1 #Down
31 28 29 1
32 27 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 31 35 1 #Down
37 32 36 1 #Up
38 29 37 1 #Up
39 37 38 1
40 38 39 1
41 38 40 2
42 24 41 1 #Up
43 24 23 1 #Down
44 41 42 2
45 41 43 1
46 10 44 1
47 44 45 2
48 44 46 1
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