| Entry |
|
|---|
| Name |
GD2;
GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)Gal-beta1->4Glc-beta1->1'Cer;
GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)LacCer
|
|---|
| Formula |
C61H103N4O34R
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Comment |
Generic compound in reaction hierarchy
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00604 | Glycosphingolipid biosynthesis - ganglio series |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00114 GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GD2)
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00114
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 100
1 C1z C 21.4200 -20.0900
2 O2a O 18.0600 -17.2200
3 O2x O 22.5547 -20.7839
4 C1x C 20.2385 -20.6803
5 C6a C 22.2797 -19.2209
6 C1y C 18.0600 -15.9600
7 C1y C 22.5413 -22.0578
8 C1y C 20.2149 -22.0607
9 C1y C 16.9400 -15.2600
10 C1y C 19.2500 -15.2600
11 C1y C 21.3495 -22.7546
12 C1c C 23.6657 -22.8581
13 O1a O 18.9969 -22.7108
14 C1y C 16.9400 -13.9300
15 O2a O 15.7500 -15.8900
16 C1y C 19.2500 -13.9300
17 O1a O 20.4400 -15.9600
18 N1b N 21.2662 -24.0985
19 C1c C 24.7875 -22.2313
20 O1a O 23.5823 -24.2020
21 O2x O 18.0600 -13.3000
22 C1b C 15.7500 -13.3000
23 C1y C 14.5600 -16.6600
24 O2a O 20.4400 -13.3000
25 C5a C 20.1079 -24.7850
26 O2a O 24.8708 -20.8874
27 C1b C 25.9221 -22.9252
28 C1y C 14.5600 -17.9900
29 O2x O 13.3700 -15.9600
30 C1y C 21.5600 -12.6000
31 O5a O 18.9135 -24.0547
32 C1a C 20.0610 -26.0692
33 C1z C 28.2292 -19.1706
34 O1a O 27.1401 -22.2751
35 C1y C 13.3700 -18.6900
36 N1b N 15.7500 -18.6900
37 C1y C 12.1800 -16.6600
38 C1y C 21.5600 -11.2700
39 C1y C 22.7500 -13.3000
40 C1y C 12.1800 -17.9900
41 O1a O 13.3700 -20.0200
42 C5a C 15.7500 -20.0900
43 C1b C 10.9900 -16.0300
44 O2x O 22.7500 -10.5700
45 C1b C 20.4400 -10.5700
46 C1y C 23.8700 -12.6000
47 O1a O 22.6800 -14.5600
48 O1a O 10.9900 -18.6900
49 C1a C 16.9400 -20.7900
50 O5a O 14.5600 -20.7900
51 C1y C 23.8700 -11.2700
52 O1a O 25.0600 -13.3000
53 O2a O 25.0600 -10.5700
54 C1b C 26.2500 -11.2700
55 C1c C 27.4400 -10.5000
56 C1c C 28.6300 -11.2000
57 N1b N 27.4400 -9.1700
58 C2b C 29.8200 -10.5000
59 O1a O 28.6300 -12.6000
60 C5a C 28.5600 -8.4700
61 C2b C 31.0100 -11.2000
62 O5a O 28.5600 -7.1400
63 R R 29.7500 -9.1700
64 C1b C 32.2000 -10.5000
65 C1b C 33.3900 -11.1300
66 C1b C 34.5800 -10.5000
67 C1b C 35.7700 -11.1300
68 C1b C 36.9600 -10.4300
69 C1b C 38.1500 -11.1300
70 C1b C 39.3400 -10.4300
71 C1b C 40.5300 -11.0600
72 C1b C 41.6500 -10.3600
73 C1b C 42.8400 -11.0600
74 C1b C 44.0300 -10.3600
75 C1b C 45.2200 -11.0600
76 C1a C 46.4100 -10.3600
77 O6a O 22.0146 -17.9100
78 O6a O 23.5970 -19.6161
79 O2x O 29.3658 -18.4798
80 C1x C 28.2128 -20.4913
81 C1y C 30.5820 -19.1331
82 C1y C 29.3693 -21.1809
83 C1y C 30.5656 -20.4537
84 O1a O 29.4491 -22.5251
85 C1c C 31.7784 -18.4059
86 C1c C 31.7584 -17.0254
87 C1b C 32.9547 -16.2982
88 O1a O 33.0048 -14.9178
89 O1a O 33.0310 -19.1190
90 O1a O 30.5656 -16.2760
91 N1b N 31.7819 -21.1070
92 C5a C 31.7682 -22.5473
93 C1a C 33.0545 -23.2006
94 O5a O 30.6419 -23.2745
95 C6a C 27.5021 -17.9743
96 O6a O 26.2178 -18.0177
97 O6a O 28.2515 -16.7815
98 O1a O 19.2500 -11.2700
99 O1a O 14.5600 -14.0000
100 O1a O 9.8700 -16.7300
BOND 104
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Down
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 #Up
13 9 14 1
14 9 15 1 #Up
15 10 16 1
16 10 17 1 #Down
17 11 18 1 #Down
18 12 19 1
19 12 20 1 #Up
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 #Down
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 33 26 1 #Up
33 27 34 1
34 28 35 1
35 28 36 1 #Down
36 29 37 1
37 30 38 1
38 30 39 1
39 35 40 1
40 35 41 1 #Up
41 36 42 1
42 37 43 1 #Up
43 38 44 1
44 38 45 1 #Up
45 39 46 1
46 39 47 1 #Up
47 40 48 1 #Up
48 42 49 1
49 42 50 2
50 44 51 1
51 46 52 1 #Down
52 51 53 1 #Up
53 8 11 1
54 16 21 1
55 37 40 1
56 46 51 1
57 53 54 1
58 54 55 1
59 55 56 1
60 55 57 1 #Down
61 56 58 1
62 56 59 1 #Up
63 57 60 1
64 58 61 2
65 60 62 2
66 60 63 1
67 61 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 75 76 1
80 5 77 1
81 5 78 2
82 33 79 1
83 33 80 1
84 79 81 1
85 80 82 1
86 81 83 1
87 82 84 1 #Up
88 82 83 1
89 81 85 1
90 85 86 1
91 86 87 1
92 87 88 1
93 85 89 1 #Up
94 86 90 1 #Down
95 83 91 1 #Down
96 91 92 1
97 92 93 1
98 92 94 2
99 33 95 1 #Down
100 95 96 1
101 95 97 2
102 45 98 1
103 22 99 1
104 43 100 1
|
|---|
