| Entry |
|
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| Name |
GD3;
alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramide;
NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer;
NeuAc-alpha2->8NeuAc2->3LacCer
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| Formula |
C53H90N3O29R
|
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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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| Enzyme |
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| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00113 Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer (GD3)
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00113
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| Other DBs |
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| KCF data |
ATOM 86
1 O2a O 19.7589 -21.5076
2 C1y C 19.8056 -20.1063
3 C1y C 21.0200 -19.4525
4 C1y C 18.5911 -19.4057
5 C1y C 21.0200 -18.0978
6 O1a O 22.0009 -19.9662
7 C1y C 18.5911 -18.0045
8 O1a O 17.3300 -20.0596
9 O2a O 22.2344 -17.3972
10 O2x O 19.8522 -17.3506
11 C1b C 17.4235 -17.3038
12 C1y C 23.4489 -16.7433
13 C1y C 23.4489 -15.3421
14 C1y C 24.6165 -17.4907
15 O2x O 24.6165 -14.6882
16 C1b C 22.2344 -14.5947
17 C1y C 25.8310 -16.7901
18 O1a O 24.5699 -18.8452
19 C1y C 25.8310 -15.3888
20 O1a O 21.0667 -15.3421
21 O1a O 27.0454 -17.5373
22 O2a O 27.0921 -14.7348
23 C1b C 28.3065 -15.4355
24 C1c C 29.4743 -14.6882
25 C1c C 30.6887 -15.3888
26 N1b N 29.4743 -13.3336
27 C2b C 31.9030 -14.6882
28 O1a O 30.7354 -16.8367
29 C5a C 30.6419 -12.5863
30 C2b C 33.1175 -15.3888
31 O5a O 30.6419 -11.2317
32 R R 31.8564 -13.2869
33 C1b C 34.3319 -14.6414
34 C1b C 35.5463 -15.3421
35 C1b C 36.7608 -14.6414
36 C1b C 37.9752 -15.2953
37 C1b C 39.1896 -14.5947
38 C1b C 40.4041 -15.2953
39 C1b C 41.6185 -14.5947
40 C1b C 42.8329 -15.2487
41 C1b C 44.0473 -14.5481
42 C1b C 45.2617 -15.2487
43 C1b C 46.4761 -14.5481
44 C1b C 47.6906 -15.2019
45 C1a C 48.9050 -14.5013
46 O1a O 17.4235 -15.9026
47 C1z C 18.3109 -22.6286
48 O2x O 17.1432 -21.9280
49 C1x C 18.3109 -23.9831
50 C6a C 19.4786 -23.2358
51 C1y C 15.9287 -22.6286
52 C1y C 17.1432 -24.6837
53 O6a O 20.6464 -22.5352
54 O6a O 19.4786 -24.6371
55 C1y C 15.9287 -23.9831
56 O1a O 17.1432 -26.0384
57 C1c C 14.7143 -21.8812
58 C1c C 14.7143 -20.4800
59 O2a O 13.4532 -19.7327
60 O1a O 13.4532 -22.6286
61 C1b C 15.9287 -19.7327
62 N1b N 14.7143 -24.6837
63 C5a C 14.7143 -26.1317
64 C1a C 13.4532 -26.8324
65 O5a O 15.9287 -26.8324
66 O1a O 15.9287 -18.3314
67 C1z C 12.2388 -19.0321
68 O2x O 11.0711 -18.3314
69 C1x C 12.2388 -20.3866
70 C1y C 9.8567 -19.0321
71 C1y C 11.0711 -21.0872
72 C1y C 9.8567 -20.3866
73 O1a O 11.0711 -22.4417
74 C1c C 8.6422 -18.2847
75 C1c C 8.6422 -16.8834
76 C1b C 7.3811 -16.1361
77 O1a O 7.3811 -14.6882
78 O1a O 7.3811 -19.0321
79 O1a O 9.8567 -16.1361
80 N1b N 8.6422 -21.0872
81 C5a C 8.6422 -22.5352
82 C1a C 7.3811 -23.2358
83 O5a O 9.8567 -23.2358
84 C6a C 12.9394 -17.8176
85 O6a O 14.3407 -17.8176
86 O6a O 12.2388 -16.6032
BOND 89
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 #Down
12 12 13 1
13 12 14 1
14 13 15 1
15 13 16 1 #Up
16 14 17 1
17 14 18 1 #Up
18 15 19 1
19 16 20 1
20 17 21 1 #Down
21 19 22 1 #Up
22 22 23 1
23 23 24 1
24 24 25 1
25 24 26 1 #Down
26 25 27 1
27 25 28 1 #Up
28 26 29 1
29 27 30 2
30 29 31 2
31 29 32 1
32 30 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 7 10 1
46 17 19 1
47 11 46 1
48 47 48 1
49 47 1 1 #Down
50 47 49 1
51 47 50 1 #Up
52 48 51 1
53 49 52 1
54 50 53 1
55 50 54 2
56 51 55 1
57 52 56 1 #Down
58 52 55 1
59 51 57 1
60 57 58 1
61 58 59 1 #Down
62 57 60 1 #Down
63 58 61 1
64 55 62 1 #Up
65 62 63 1
66 63 64 1
67 63 65 2
68 61 66 1
69 67 68 1
70 67 69 1
71 68 70 1
72 69 71 1
73 70 72 1
74 71 73 1 #Down
75 71 72 1
76 70 74 1
77 74 75 1
78 75 76 1
79 76 77 1
80 74 78 1 #Down
81 75 79 1 #Up
82 72 80 1 #Up
83 80 81 1
84 81 82 1
85 81 83 2
86 67 84 1 #Up
87 67 59 1 #Down
88 84 85 2
89 84 86 1
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