| Entry |
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| Name |
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
GM2;
Tay-Sachs ganglioside;
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-beta-D-glucosyl-N-acylsphingosine;
GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
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| Formula |
C50H86N3O26R
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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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| Pathway |
| map00604 | Glycosphingolipid biosynthesis - ganglio series |
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| Network |
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Lipids
Glycolipids
Glycosphingolipids
C04884 GM2
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00109 GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GM2)
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00109
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| Other DBs |
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| KCF data |
ATOM 80
1 C1z C 14.4315 -19.4262
2 O2a O 11.9696 -17.0106
3 O2x O 14.4315 -20.8198
4 C1x C 15.5928 -18.7294
5 C6a C 13.2238 -19.7514
6 C1y C 11.9696 -15.7565
7 C1y C 15.6394 -21.4700
8 C1y C 16.8006 -19.4262
9 C1y C 10.8082 -15.0597
10 C1y C 13.1772 -15.0597
11 C1y C 16.8006 -20.7732
12 C1c C 15.6394 -22.8636
13 O1a O 17.9619 -18.7294
14 C1y C 10.8082 -13.6661
15 O2a O 9.6006 -15.7100
16 C1y C 13.1772 -13.6661
17 O1a O 14.3387 -15.7565
18 N1b N 17.9619 -21.4700
19 C1c C 14.4779 -23.5140
20 O1a O 16.8470 -23.5140
21 O2x O 11.9696 -13.0158
22 C1b C 9.6006 -13.0158
23 C1y C 8.3928 -16.4532
24 O2a O 14.3387 -13.0158
25 C5a C 19.1696 -20.7732
26 O1a O 13.3166 -22.8636
27 C1b C 14.4779 -24.8611
28 C1y C 8.3928 -17.8468
29 O2x O 7.1850 -15.7565
30 C1y C 15.5000 -12.3191
31 O5a O 19.1696 -19.3797
32 C1a C 20.3309 -21.4237
33 O1a O 13.3166 -25.5579
34 C1y C 7.1850 -18.5436
35 N1b N 9.6006 -18.5436
36 C1y C 5.9772 -16.4532
37 C1y C 15.5000 -10.9719
38 C1y C 16.7077 -13.0158
39 C1y C 5.9772 -17.8468
40 O1a O 7.1850 -19.8907
41 C5a C 9.6006 -19.9372
42 C1b C 4.7695 -15.8029
43 O2x O 16.7077 -10.2751
44 C1b C 14.3387 -10.2751
45 C1y C 17.8690 -12.3191
46 O1a O 16.6612 -14.3629
47 O1a O 4.7695 -18.5436
48 C1a C 10.8082 -20.6339
49 O5a O 8.3928 -20.6339
50 C1y C 17.8690 -10.9719
51 O1a O 19.0767 -13.0158
52 O2a O 19.0767 -10.2751
53 C1b C 20.2845 -10.9719
54 C1c C 21.4458 -10.2287
55 C1c C 22.6535 -10.9255
56 N1b N 21.4458 -8.8816
57 C2b C 23.8614 -10.2287
58 O1a O 22.7000 -12.3655
59 C5a C 22.6071 -8.1384
60 C2b C 25.0690 -10.9255
61 O5a O 22.6071 -6.7912
62 R R 23.8148 -8.8351
63 C1b C 26.2768 -10.1822
64 C1b C 27.4846 -10.8790
65 C1b C 28.6923 -10.1822
66 C1b C 29.9001 -10.8326
67 C1b C 31.1079 -10.1358
68 C1b C 32.3156 -10.8326
69 C1b C 33.5233 -10.1358
70 C1b C 34.7311 -10.7861
71 C1b C 35.9389 -10.0893
72 C1b C 37.1466 -10.7861
73 C1b C 38.3544 -10.0893
74 C1b C 39.5621 -10.7397
75 C1a C 40.7698 -10.0429
76 O6a O 12.2483 -18.7759
77 O6a O 12.8522 -21.0985
78 O1a O 13.1202 -10.9515
79 O1a O 8.4149 -13.7480
80 O1a O 3.5838 -16.5351
BOND 83
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 6 2 1 #Up
6 3 7 1
7 4 8 1
8 6 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 8 13 1 #Down
13 9 14 1
14 9 15 1 #Up
15 10 16 1
16 10 17 1 #Down
17 11 18 1 #Up
18 12 19 1
19 12 20 1 #Down
20 14 21 1
21 14 22 1 #Up
22 23 15 1 #Up
23 16 24 1 #Up
24 18 25 1
25 19 26 1 #Up
26 19 27 1
27 23 28 1
28 23 29 1
29 30 24 1 #Down
30 25 31 2
31 25 32 1
32 27 33 1
33 28 34 1
34 28 35 1 #Down
35 29 36 1
36 30 37 1
37 30 38 1
38 34 39 1
39 34 40 1 #Up
40 35 41 1
41 36 42 1 #Up
42 37 43 1
43 37 44 1 #Up
44 38 45 1
45 38 46 1 #Up
46 39 47 1 #Up
47 41 48 1
48 41 49 2
49 43 50 1
50 45 51 1 #Down
51 50 52 1 #Up
52 8 11 1
53 16 21 1
54 36 39 1
55 45 50 1
56 52 53 1
57 53 54 1
58 54 55 1
59 54 56 1 #Down
60 55 57 1
61 55 58 1 #Up
62 56 59 1
63 57 60 2
64 59 61 2
65 59 62 1
66 60 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 69 70 1
74 70 71 1
75 71 72 1
76 72 73 1
77 73 74 1
78 74 75 1
79 5 76 1
80 5 77 2
81 44 78 1
82 22 79 1
83 42 80 1
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