| Entry |
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| Name |
GT1b;
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
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| Formula |
C78H130N5O47R
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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
G00116 Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GT1b)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 131
1 C1z C 20.0900 -18.3633
2 O2a O 17.6633 -15.9833
3 O2x O 20.0900 -19.7633
4 C1x C 21.2567 -17.6633
5 C6a C 18.8767 -18.6900
6 C1y C 17.6633 -14.7233
7 C1y C 21.3033 -20.3700
8 C1y C 22.4700 -18.3633
9 C1y C 16.5433 -14.0233
10 C1y C 18.8300 -14.0233
11 C1y C 22.4700 -19.7167
12 C1c C 21.3033 -21.7700
13 O1a O 23.6367 -17.6633
14 C1y C 16.5433 -12.6233
15 O2a O 15.3300 -14.6767
16 C1y C 18.8300 -12.6233
17 O1a O 19.9967 -14.7233
18 N1b N 23.6367 -20.3700
19 C1c C 20.1367 -22.4233
20 O1a O 22.5167 -22.4233
21 O2x O 17.6633 -11.9700
22 C1b C 15.3300 -11.9700
23 C1y C 14.1167 -15.4233
24 O2a O 19.9967 -11.9700
25 C5a C 24.8500 -19.7167
26 O2a O 18.9700 -21.7700
27 C1b C 20.1367 -23.7767
28 C1y C 14.1167 -16.8233
29 O2x O 12.9033 -14.7233
30 C1y C 21.1633 -11.2700
31 O5a O 24.8500 -18.3167
32 C1a C 26.0167 -20.3233
33 O1a O 18.9700 -24.4767
34 C1y C 12.9033 -17.5233
35 N1b N 15.3300 -17.5233
36 C1y C 11.6900 -15.4233
37 C1y C 21.1633 -9.9633
38 C1y C 22.3767 -11.9700
39 C1y C 11.6900 -16.8233
40 O2a O 12.9033 -18.8300
41 C5a C 15.3300 -18.8767
42 C1b C 10.4767 -14.7700
43 O2x O 22.3767 -9.2633
44 C1b C 19.9967 -9.2633
45 C1y C 23.5433 -11.2700
46 O1a O 22.3300 -13.3233
47 O1a O 10.4767 -17.5233
48 C1a C 16.5433 -19.5767
49 O5a O 14.1167 -19.5767
50 C1y C 23.5433 -9.9633
51 O1a O 24.7567 -11.9700
52 O2a O 24.7567 -9.2633
53 C1b C 25.9700 -9.9633
54 C1c C 27.0900 -9.2167
55 C1c C 28.2567 -9.9167
56 N1b N 27.0900 -7.9100
57 C2b C 29.4700 -9.2167
58 O1a O 28.3033 -11.3167
59 C5a C 28.2100 -7.1633
60 C2b C 30.6833 -9.9167
61 O5a O 28.2100 -5.8100
62 R R 29.4233 -7.8633
63 C1b C 31.8967 -9.1700
64 C1b C 33.1100 -9.8700
65 C1b C 34.3233 -9.1700
66 C1b C 35.5367 -9.8233
67 C1b C 36.6567 -9.1233
68 C1b C 37.8700 -9.8233
69 C1b C 39.0833 -9.1233
70 C1b C 40.2967 -9.7767
71 C1b C 41.5100 -9.0767
72 C1b C 42.7233 -9.7767
73 C1b C 43.9367 -9.0767
74 C1b C 45.1500 -9.7300
75 C1a C 46.2700 -9.0300
76 O6a O 17.9433 -17.7100
77 O6a O 18.5033 -20.0433
78 O1a O 18.7833 -9.9167
79 O1a O 14.1167 -12.7167
80 O1a O 9.3100 -15.5167
81 C1y C 11.6900 -19.5300
82 O2x O 10.4767 -18.8300
83 C1y C 9.2633 -19.5300
84 C1y C 9.2633 -20.9300
85 C1y C 10.4767 -21.6300
86 C1y C 11.6900 -20.9300
87 C1b C 8.0967 -18.8300
88 O1a O 8.1433 -21.8167
89 O2a O 10.4767 -23.0300
90 O1a O 12.9033 -21.6300
91 O1a O 6.8833 -19.5300
92 C1z C 8.7967 -24.0567
93 O2x O 7.6300 -23.3567
94 C1x C 8.7967 -25.4567
95 C6a C 9.9633 -24.6633
96 C1y C 6.4167 -24.0567
97 C1y C 7.6300 -26.1567
98 O6a O 11.1300 -23.9633
99 O6a O 9.9633 -26.1100
100 C1y C 6.4167 -25.4567
101 O1a O 7.6300 -27.4633
102 C1c C 5.2033 -23.3100
103 C1c C 5.2033 -21.9100
104 C1b C 3.9433 -21.1633
105 O1a O 3.9433 -19.7167
106 O1a O 3.9433 -24.0567
107 O1a O 6.4167 -21.0233
108 N1b N 5.2033 -26.1567
109 C5a C 5.2033 -27.5567
110 C1a C 3.9433 -28.2567
111 O5a O 6.4167 -28.2567
112 C1z C 16.1233 -25.3167
113 O2x O 14.9100 -25.9700
114 C1x C 17.2433 -26.0167
115 C1y C 14.9100 -27.3700
116 C1y C 17.2433 -27.3233
117 C1y C 16.0767 -27.9767
118 O1a O 18.3633 -28.0233
119 C1c C 13.6967 -28.0233
120 C1c C 12.4833 -27.3233
121 C1b C 11.2700 -27.9767
122 O1a O 10.0567 -27.3233
123 O1a O 13.6967 -29.4700
124 O1a O 12.4833 -25.9233
125 N1b N 16.0300 -29.3767
126 C5a C 17.2433 -30.1233
127 C1a C 17.2433 -31.4767
128 O5a O 18.4567 -29.4233
129 C6a C 15.4700 -24.1033
130 O6a O 16.0767 -22.9833
131 O6a O 14.0233 -24.1033
BOND 137
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
84 81 40 1 #Up
85 81 82 1
86 82 83 1
87 83 84 1
88 84 85 1
89 85 86 1
90 81 86 1
91 83 87 1 #Up
92 84 88 1 #Up
93 85 89 1 #Up
94 86 90 1 #Down
95 87 91 1
96 92 93 1
97 92 89 1 #Down
98 92 94 1
99 92 95 1 #Up
100 93 96 1
101 94 97 1
102 95 98 1
103 95 99 2
104 96 100 1
105 97 101 1 #Down
106 97 100 1
107 96 102 1
108 102 103 1
109 103 104 1
110 104 105 1
111 102 106 1 #Down
112 103 107 1 #Up
113 100 108 1 #Up
114 108 109 1
115 109 110 1
116 109 111 2
117 112 26 1 #Down
118 112 113 1
119 112 114 1
120 113 115 1
121 114 116 1
122 115 117 1
123 116 118 1 #Down
124 116 117 1
125 115 119 1
126 119 120 1
127 120 121 1
128 121 122 1
129 119 123 1 #Down
130 120 124 1 #Up
131 117 125 1 #Up
132 125 126 1
133 126 127 1
134 126 128 2
135 112 129 1 #Up
136 129 130 1
137 129 131 2
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