| Entry |
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| Name |
GT1a;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-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
G00112 Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GT1a)
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| Other DBs |
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| KCF data |
ATOM 131
1 C1z C 26.0155 -20.3115
2 O2a O 23.5847 -17.9274
3 O2x O 26.0155 -21.7138
4 C1x C 27.1842 -19.6103
5 C6a C 24.8002 -20.6386
6 C1y C 23.5847 -16.6653
7 C1y C 27.2309 -22.3214
8 C1y C 28.3995 -20.3115
9 C1y C 22.4628 -15.9641
10 C1y C 24.7534 -15.9641
11 C1y C 28.3995 -21.6670
12 C1c C 27.2309 -23.7238
13 O1a O 29.5682 -19.6103
14 C1y C 22.4628 -14.5618
15 O2a O 21.2475 -16.6185
16 C1y C 24.7534 -14.5618
17 O1a O 25.9221 -16.6653
18 N1b N 29.5682 -22.3214
19 C1c C 26.0623 -24.3783
20 O1a O 28.4463 -24.3783
21 O2x O 23.5847 -13.9073
22 C1b C 21.2475 -13.9073
23 C1y C 20.0322 -17.3665
24 O2a O 25.9221 -13.9073
25 C5a C 30.7835 -21.6670
26 O1a O 24.8936 -23.7238
27 C1b C 26.0623 -25.7339
28 C1y C 20.0322 -18.7689
29 O2x O 18.8167 -16.6653
30 C1y C 27.0906 -13.2061
31 O5a O 30.7835 -20.2647
32 C1a C 31.9522 -22.2748
33 O1a O 24.8936 -26.4351
34 C1y C 18.8167 -19.4700
35 N1b N 21.2475 -19.4700
36 C1y C 17.6014 -17.3665
37 C1y C 27.0906 -11.8973
38 C1y C 28.3061 -13.9073
39 C1y C 17.6014 -18.7689
40 O2a O 18.8167 -20.7788
41 C5a C 21.2475 -20.8256
42 C1b C 16.3860 -16.7120
43 O2x O 28.3061 -11.1961
44 C1b C 25.9221 -11.1961
45 C1y C 29.4746 -13.2061
46 O1a O 28.2593 -15.2630
47 O1a O 16.3860 -19.4700
48 C1a C 22.4628 -21.5268
49 O5a O 20.0322 -21.5268
50 C1y C 29.4746 -11.8973
51 O1a O 30.6901 -13.9073
52 O2a O 30.6901 -11.1961
53 C1b C 31.9054 -11.8973
54 C1c C 33.0273 -11.1493
55 C1c C 34.1960 -11.8505
56 N1b N 33.0273 -9.8404
57 C2b C 35.4113 -11.1493
58 O1a O 34.2427 -13.2529
59 C5a C 34.1492 -9.0926
60 C2b C 36.6267 -11.8505
61 O5a O 34.1492 -7.7369
62 R R 35.3646 -9.7938
63 C1b C 37.8421 -11.1026
64 C1b C 39.0575 -11.8037
65 C1b C 40.2728 -11.1026
66 C1b C 41.4883 -11.7571
67 C1b C 42.6101 -11.0559
68 C1b C 43.8255 -11.7571
69 C1b C 45.0408 -11.0559
70 C1b C 46.2563 -11.7103
71 C1b C 47.4716 -11.0091
72 C1b C 48.6870 -11.7103
73 C1b C 49.9024 -11.0091
74 C1b C 51.1177 -11.6635
75 C1a C 52.2396 -10.9623
76 O6a O 23.8652 -19.6570
77 O6a O 24.4262 -21.9943
78 O1a O 24.7066 -11.8505
79 O1a O 20.0322 -14.6552
80 O1a O 15.2174 -17.4600
81 C1z C 15.0303 -26.0143
82 O2x O 13.8618 -25.3132
83 O2a O 16.4795 -24.8925
84 C1x C 15.0303 -27.3699
85 C6a C 16.1990 -26.6221
86 C1y C 12.6463 -26.0143
87 C1y C 16.4795 -23.5369
88 C1y C 13.8618 -28.0711
89 O6a O 17.3677 -25.9209
90 O6a O 16.1990 -28.0244
91 C1y C 12.6463 -27.3699
92 C1y C 15.2641 -22.8357
93 C1y C 17.6482 -22.8357
94 O1a O 13.8618 -29.4268
95 C1y C 15.2641 -21.4800
96 O1a O 14.0955 -23.4901
97 C1y C 17.6482 -21.4800
98 O2x O 16.4795 -20.8256
99 C1b C 14.0955 -20.8256
100 C1c C 11.4310 -25.2664
101 C1c C 11.4310 -23.8640
102 O2a O 10.1689 -23.1162
103 O1a O 10.1689 -26.0143
104 C1b C 12.6463 -23.1162
105 N1b N 11.4310 -28.0711
106 C5a C 11.4310 -29.5202
107 C1a C 10.1689 -30.2214
108 O5a O 12.6463 -30.2214
109 O1a O 18.9103 -23.5369
110 O1a O 14.0955 -19.4233
111 O1a O 12.6463 -21.7138
112 C1z C 8.9535 -22.4150
113 O2x O 7.7849 -21.7138
114 C1x C 8.9535 -23.7706
115 C1y C 6.5695 -22.4150
116 C1y C 7.7849 -24.4718
117 C1y C 6.5695 -23.7706
118 O1a O 7.7849 -25.8273
119 C1c C 5.3541 -21.6670
120 C1c C 5.3541 -20.2647
121 C1b C 4.0919 -19.5167
122 O1a O 4.0919 -18.0677
123 O1a O 4.0919 -22.4150
124 O1a O 6.5695 -19.5167
125 N1b N 5.3541 -24.4718
126 C5a C 5.3541 -25.9209
127 C1a C 4.0919 -26.6221
128 O5a O 6.5695 -26.6221
129 C6a C 9.6547 -21.1995
130 O6a O 11.0571 -21.1995
131 O6a O 8.9535 -19.9842
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 82 1
85 81 83 1 #Down
86 81 84 1
87 81 85 1 #Up
88 82 86 1
89 87 83 1 #Up
90 84 88 1
91 85 89 1
92 85 90 2
93 86 91 1
94 87 92 1
95 87 93 1
96 88 94 1 #Down
97 92 95 1
98 92 96 1 #Up
99 93 97 1
100 95 98 1
101 95 99 1 #Up
102 97 40 1 #Up
103 88 91 1
104 97 98 1
105 86 100 1
106 100 101 1
107 101 102 1 #Down
108 100 103 1 #Down
109 101 104 1
110 91 105 1 #Up
111 105 106 1
112 106 107 1
113 106 108 2
114 93 109 1 #Down
115 99 110 1
116 104 111 1
117 112 113 1
118 112 114 1
119 113 115 1
120 114 116 1
121 115 117 1
122 116 118 1 #Down
123 116 117 1
124 115 119 1
125 119 120 1
126 120 121 1
127 121 122 1
128 119 123 1 #Down
129 120 124 1 #Up
130 117 125 1 #Up
131 125 126 1
132 126 127 1
133 126 128 2
134 112 129 1 #Up
135 112 102 1 #Down
136 129 130 2
137 129 131 1
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