| Entry |
|
|---|
| Name |
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide;
Neu5Ac-alpha2->3Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
|
|---|
| Formula |
C56H96N3O31R
|
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| Structure |
|
|---|
| Remark |
|
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| Comment |
Generic compound in reaction hierarchy
|
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| Reaction |
|
|---|
| Pathway |
| map00601 | Glycosphingolipid biosynthesis - lacto and neolacto series |
|
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| Network |
nt06035 Blood group carbohydrate antigen biosynthesis |
|---|
| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00062 Neu5Ac-alpha2->3Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00062
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| Other DBs |
|
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| KCF data |
ATOM 91
1 C1c C 30.9942 -9.3567
2 C1c C 32.2001 -10.0062
3 N1b N 30.9942 -7.9653
4 C1b C 29.7882 -10.0525
5 C2b C 33.4061 -9.3104
6 O1a O 32.2465 -11.4440
7 C5a C 32.1538 -7.2232
8 O2a O 28.5822 -9.3567
9 C2b C 34.6584 -10.0062
10 O5a O 32.1538 -5.8317
11 R R 33.4061 -7.9189
12 C1b C 35.8644 -9.3104
13 C1b C 37.0703 -9.9598
14 C1b C 38.2763 -9.2640
15 C1b C 39.4822 -9.9598
16 C1b C 40.6881 -9.2640
17 C1b C 41.8942 -9.9133
18 C1b C 43.1001 -9.2176
19 C1b C 44.3524 -9.9133
20 C1b C 45.5583 -9.1713
21 C1b C 46.7644 -9.8670
22 C1b C 47.9703 -9.1713
23 C1b C 49.1762 -9.8670
24 C1a C 50.3822 -9.1249
25 C1y C 20.1406 -17.0099
26 C1y C 20.1406 -18.4014
27 O2a O 21.3465 -16.3142
28 O2x O 18.9347 -16.3142
29 C1y C 18.9347 -19.1436
30 N1b N 21.3465 -19.0971
31 C1y C 21.3465 -14.9227
32 C1y C 17.7286 -17.0099
33 C1y C 17.7286 -18.4014
34 O1a O 18.9347 -20.5350
35 C5a C 21.3465 -20.4886
36 C1y C 22.5525 -14.2269
37 C1y C 20.1406 -14.2269
38 C1b C 16.5227 -16.3142
39 O2a O 16.5227 -19.0971
40 C1a C 22.5525 -21.1844
41 O5a O 20.1406 -21.1844
42 C1y C 22.5525 -12.8355
43 O1a O 23.7584 -14.9227
44 C1y C 20.1406 -12.8355
45 O1a O 18.9347 -14.9227
46 O1a O 16.5227 -14.9227
47 C1y C 15.3631 -19.7929
48 O2a O 23.7584 -12.1397
49 O2x O 21.3465 -12.1397
50 C1b C 18.9347 -12.1397
51 O2x O 14.1108 -19.0971
52 C1y C 15.3631 -21.1844
53 C1y C 24.9644 -11.4440
54 O1a O 18.9347 -10.7482
55 C1y C 12.9049 -19.7929
56 C1y C 14.1108 -21.9265
57 O1a O 16.5227 -21.8801
58 C1y C 24.9644 -10.0525
59 C1y C 26.1704 -12.1397
60 C1y C 12.9049 -21.1844
61 C1b C 11.6989 -19.0971
62 O2a O 14.1108 -23.2716
63 O2x O 26.1704 -9.3567
64 C1b C 23.8049 -9.3567
65 C1y C 27.3763 -11.4440
66 O1a O 26.1704 -13.5312
67 O1a O 11.6989 -22.0901
68 O1a O 11.6989 -17.7057
69 C1y C 27.3763 -10.0525
70 O1a O 22.7380 -10.2381
71 O1a O 28.5822 -12.1397
72 C1z C 12.3483 -24.3385
73 O2x O 11.1887 -23.6427
74 C1x C 12.3483 -25.6835
75 C6a C 13.5079 -24.9414
76 C1y C 9.9828 -24.3385
77 C1y C 11.1887 -26.3793
78 O6a O 14.6674 -24.2456
79 O6a O 13.5079 -26.3329
80 C1y C 9.9828 -25.6835
81 O1a O 11.1887 -27.7243
82 C1c C 8.7768 -23.5963
83 C1c C 8.7768 -22.2048
84 C1b C 7.5245 -21.4627
85 O1a O 7.5245 -20.0249
86 O1a O 7.5245 -24.3385
87 O1a O 9.9828 -21.1827
88 N1b N 8.7768 -26.3793
89 C5a C 8.7768 -27.8172
90 C1a C 7.5245 -28.5129
91 O5a O 9.9828 -28.5129
BOND 95
1 23 24 1
2 1 2 1
3 1 3 1 #Down
4 1 4 1
5 2 5 1
6 2 6 1 #Up
7 3 7 1
8 4 8 1
9 5 9 2
10 7 10 2
11 7 11 1
12 9 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 25 26 1
25 25 27 1 #Up
26 25 28 1
27 26 29 1
28 26 30 1 #Down
29 31 27 1 #Up
30 28 32 1
31 29 33 1
32 29 34 1 #Up
33 30 35 1
34 31 36 1
35 31 37 1
36 32 38 1 #Up
37 33 39 1 #Down
38 35 40 1
39 35 41 2
40 36 42 1
41 36 43 1 #Down
42 37 44 1
43 37 45 1 #Up
44 38 46 1
45 47 39 1 #Up
46 42 48 1 #Up
47 42 49 1
48 44 50 1 #Up
49 47 51 1
50 47 52 1
51 53 48 1 #Down
52 50 54 1
53 51 55 1
54 52 56 1
55 52 57 1 #Down
56 53 58 1
57 53 59 1
58 55 60 1
59 55 61 1 #Up
60 56 62 1 #Up
61 58 63 1
62 58 64 1 #Up
63 59 65 1
64 59 66 1 #Up
65 60 67 1 #Up
66 61 68 1
67 63 69 1
68 64 70 1
69 65 71 1 #Down
70 69 8 1 #Up
71 32 33 1
72 44 49 1
73 56 60 1
74 65 69 1
75 72 73 1
76 72 62 1 #Down
77 72 74 1
78 72 75 1 #Up
79 73 76 1
80 74 77 1
81 75 78 1
82 75 79 2
83 76 80 1
84 77 81 1 #Down
85 77 80 1
86 76 82 1
87 82 83 1
88 83 84 1
89 84 85 1
90 82 86 1 #Down
91 83 87 1 #Up
92 80 88 1 #Up
93 88 89 1
94 89 90 1
95 89 91 2
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