| Entry |
|
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| Name |
alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide;
Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer
|
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| Formula |
C42H73N2O21R
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| Structure |
|
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| Remark |
|
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| Comment |
Generic compound in reaction hierarchy
|
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| Reaction |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G01185 Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer
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| Other DBs |
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| KCF data |
ATOM 66
1 C1c C 28.9502 -15.3729
2 C1c C 30.1734 -16.0315
3 N1b N 28.9031 -13.9615
4 C1b C 27.7270 -16.0786
5 C2b C 31.3966 -15.3258
6 O1a O 30.1734 -17.4900
7 C5a C 30.1264 -13.2558
8 O2a O 26.5037 -15.3729
9 C2b C 32.6198 -16.0315
10 O5a O 30.1264 -11.8444
11 R R 31.3496 -13.9615
12 C1b C 33.8430 -15.3258
13 C1b C 35.0663 -15.9845
14 C1b C 36.2424 -15.2788
15 C1b C 37.4657 -15.9845
16 C1b C 38.6889 -15.2788
17 C1b C 39.9120 -15.9375
18 C1b C 41.1353 -15.2318
19 C1b C 42.3585 -15.9375
20 C1b C 43.5817 -15.2318
21 C1b C 44.8050 -15.8904
22 C1b C 46.0282 -15.1847
23 C1b C 47.2513 -15.8904
24 C1a C 48.4746 -15.1847
25 C1y C 22.9752 -16.0786
26 O2x O 24.1514 -15.3729
27 C1y C 22.9752 -17.4429
28 C1y C 25.3276 -16.0786
29 C1y C 24.1514 -18.1016
30 O2a O 21.7991 -18.1016
31 C1y C 25.3276 -17.4429
32 O1a O 24.1514 -19.4660
33 O1a O 26.5037 -18.1016
34 C1b C 21.7520 -15.3729
35 C1b C 16.8121 -18.2898
36 C1y C 17.9883 -18.9485
37 O2x O 19.1174 -18.2898
38 C1y C 17.9883 -20.3128
39 C1y C 20.3406 -18.9485
40 C1y C 19.1174 -20.9714
41 O1a O 16.8121 -20.9714
42 C1y C 20.3406 -20.3128
43 O1a O 19.1644 -22.3359
44 O1a O 21.5168 -20.9714
45 O1a O 20.5288 -16.0786
46 O2a O 15.5889 -18.9955
47 C1z C 14.3656 -18.2898
48 O2x O 13.1895 -17.5841
49 C1x C 14.3656 -19.6542
50 C1y C 11.9663 -18.2898
51 C1y C 13.1895 -20.3599
52 C1y C 11.9663 -19.6542
53 O1a O 13.1895 -21.7242
54 C1c C 10.7431 -17.5371
55 C1c C 10.7431 -16.1257
56 C1b C 9.4728 -15.3729
57 O1a O 9.4728 -13.9144
58 O1a O 9.4728 -18.2898
59 O1a O 11.9663 -15.3729
60 N1b N 10.7431 -20.3599
61 C5a C 10.7431 -21.8183
62 C1a C 9.4728 -22.5240
63 O5a O 11.9663 -22.5240
64 C6a C 15.0713 -17.0666
65 O6a O 16.4827 -17.0666
66 O6a O 14.3656 -15.8434
BOND 68
1 29 31 1
2 25 34 1 #Up
3 4 8 1
4 5 9 2
5 7 10 2
6 7 11 1
7 9 12 1
8 12 13 1
9 13 14 1
10 14 15 1
11 15 16 1
12 16 17 1
13 17 18 1
14 18 19 1
15 19 20 1
16 20 21 1
17 21 22 1
18 22 23 1
19 23 24 1
20 1 2 1
21 1 3 1 #Down
22 1 4 1
23 2 5 1
24 2 6 1 #Up
25 3 7 1
26 25 26 1
27 25 27 1
28 26 28 1
29 27 29 1
30 27 30 1 #Down
31 28 31 1
32 28 8 1 #Up
33 29 32 1 #Up
34 31 33 1 #Down
35 36 35 1 #Up
36 36 37 1
37 36 38 1
38 37 39 1
39 38 40 1
40 38 41 1 #Up
41 39 42 1
42 39 30 1 #Up
43 40 43 1 #Up
44 42 44 1 #Down
45 40 42 1
46 34 45 1
47 35 46 1
48 47 48 1
49 47 49 1
50 48 50 1
51 49 51 1
52 50 52 1
53 51 53 1 #Down
54 51 52 1
55 50 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 54 58 1 #Down
60 55 59 1 #Up
61 52 60 1 #Up
62 60 61 1
63 61 62 1
64 61 63 2
65 47 64 1 #Up
66 47 46 1 #Down
67 64 65 2
68 64 66 1
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