| Entry |
|
|---|
| Name |
GQ1;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
|
|---|
| Formula |
C89H147N6O55R
|
|---|
| 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
G00117 Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GQ1b)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 151
1 C1z C 23.4861 -18.4602
2 O2a O 21.0808 -16.1012
3 O2x O 23.4861 -19.8478
4 C1x C 24.6424 -17.7664
5 C6a C 22.2834 -18.7839
6 C1y C 21.0808 -14.8524
7 C1y C 24.6887 -20.4491
8 C1y C 25.8450 -18.4602
9 C1y C 19.9707 -14.1586
10 C1y C 22.2372 -14.1586
11 C1y C 25.8450 -19.8015
12 C1c C 24.6887 -21.8367
13 O1a O 27.0013 -17.7664
14 C1y C 19.9707 -12.7709
15 O2a O 18.7681 -14.8061
16 C1y C 22.2372 -12.7709
17 O1a O 23.3935 -14.8524
18 N1b N 27.0013 -20.4491
19 C1c C 23.5323 -22.4843
20 O1a O 25.8912 -22.4843
21 O2x O 21.0808 -12.1233
22 C1b C 18.7681 -12.1233
23 C1y C 17.5655 -15.5462
24 O2a O 23.3935 -12.1233
25 C5a C 28.2040 -19.8015
26 O2a O 22.3760 -21.8367
27 C1b C 23.5323 -23.8257
28 C1y C 17.5655 -16.9338
29 O2x O 16.3629 -14.8524
30 C1y C 24.5499 -11.3833
31 O5a O 28.2040 -18.4139
32 C1a C 29.3603 -20.4029
33 O1a O 22.3760 -24.5195
34 C1y C 16.3629 -17.6276
35 N1b N 18.7681 -17.6276
36 C1y C 15.1603 -15.5462
37 C1y C 24.5499 -10.0881
38 C1y C 25.7525 -12.1233
39 C1y C 15.1603 -16.9338
40 O2a O 16.3629 -18.9227
41 C5a C 18.7681 -18.9690
42 C1b C 13.9576 -14.8986
43 O2x O 25.7525 -9.3943
44 C1b C 23.3935 -9.3943
45 C1y C 26.9089 -11.3833
46 O1a O 25.7063 -13.4647
47 O1a O 13.9576 -17.6276
48 C1a C 19.9707 -19.6628
49 O5a O 17.5655 -19.6628
50 C1y C 26.9089 -10.0881
51 O1a O 28.1114 -12.1233
52 O2a O 28.1114 -9.3943
53 C1b C 29.3141 -10.0881
54 C1c C 30.4242 -9.3480
55 C1c C 31.5805 -10.0419
56 N1b N 30.4242 -8.0530
57 C2b C 32.7832 -9.3480
58 O1a O 31.6268 -11.4295
59 C5a C 31.5343 -7.3129
60 C2b C 33.9858 -10.0419
61 O5a O 31.5343 -5.9715
62 R R 32.7369 -8.0067
63 C1b C 35.1883 -9.3019
64 C1b C 36.3910 -9.9957
65 C1b C 37.5936 -9.3019
66 C1b C 38.8425 -9.9494
67 C1b C 39.9526 -9.2556
68 C1b C 41.1551 -9.9494
69 C1b C 42.3578 -9.2556
70 C1b C 43.5604 -9.9031
71 C1b C 44.7630 -9.2093
72 C1b C 45.9657 -9.9031
73 C1b C 47.1682 -9.2093
74 C1b C 48.3708 -9.8569
75 C1a C 49.4809 -9.1631
76 O6a O 21.3583 -17.8126
77 O6a O 21.9134 -20.1254
78 O1a O 22.1909 -10.0419
79 O1a O 17.5655 -12.8634
80 O1a O 12.8013 -15.6387
81 C1z C 12.6163 -24.1032
82 O2x O 11.4599 -23.4094
83 O2a O 14.0502 -22.9931
84 C1x C 12.6163 -25.4445
85 C6a C 13.7727 -24.7045
86 C1y C 10.2110 -24.1032
87 C1y C 14.0502 -21.6517
88 C1y C 11.4599 -26.1383
89 O6a O 14.9290 -24.0107
90 O6a O 13.7727 -26.0922
91 C1y C 10.2110 -25.4445
92 C1y C 12.8475 -20.9579
93 C1y C 15.2065 -20.9579
94 O1a O 11.4599 -27.4798
95 C1y C 12.8475 -19.6165
96 O1a O 11.6912 -21.6055
97 C1y C 15.2065 -19.6165
98 O2x O 14.0502 -18.9690
99 C1b C 11.6912 -18.9690
100 C1c C 9.0085 -23.3631
101 C1c C 9.0085 -21.9755
102 O2a O 7.7596 -21.2355
103 O1a O 7.7596 -24.1032
104 C1b C 10.2110 -21.2355
105 N1b N 9.0085 -26.1383
106 C5a C 9.0085 -27.5723
107 C1a C 7.7596 -28.2661
108 O5a O 10.2110 -28.2661
109 O1a O 16.4554 -21.6517
110 O1a O 11.6912 -17.5813
111 O1a O 10.2110 -19.8478
112 C1z C 6.5570 -20.5416
113 O2x O 5.4006 -19.8478
114 C1x C 6.5570 -21.8830
115 C1y C 4.1980 -20.5416
116 C1y C 5.4006 -22.5768
117 C1y C 4.1980 -21.8830
118 O1a O 5.4006 -23.9181
119 C1c C 2.9954 -19.8015
120 C1c C 2.9954 -18.4139
121 C1b C 1.7465 -17.6738
122 O1a O 1.7465 -16.2400
123 O1a O 1.7465 -20.5416
124 O1a O 4.1980 -17.6738
125 N1b N 2.9954 -22.5768
126 C5a C 2.9954 -24.0107
127 C1a C 1.7465 -24.7045
128 O5a O 4.1980 -24.7045
129 C6a C 7.2508 -19.3390
130 O6a O 8.6385 -19.3390
131 O6a O 6.5570 -18.1364
132 C1z C 19.6007 -25.3058
133 O2x O 18.3980 -25.9534
134 C1x C 20.6645 -25.9996
135 C1y C 18.3980 -27.3410
136 C1y C 20.6645 -27.2947
137 C1y C 19.5544 -27.9423
138 O1a O 21.7746 -27.9886
139 C1c C 17.1955 -27.9886
140 C1c C 16.0391 -27.2947
141 C1b C 14.8365 -27.9423
142 O1a O 13.6339 -27.2947
143 O1a O 17.1955 -29.3762
144 O1a O 16.0391 -25.9071
145 N1b N 19.5081 -29.2837
146 C5a C 20.6645 -30.0237
147 C1a C 20.6645 -31.3651
148 O5a O 21.8671 -29.3299
149 C6a C 18.9531 -24.1495
150 O6a O 19.5544 -23.0394
151 O6a O 17.5193 -24.1495
BOND 158
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
138 132 26 1 #Down
139 132 133 1
140 132 134 1
141 133 135 1
142 134 136 1
143 135 137 1
144 136 138 1 #Down
145 136 137 1
146 135 139 1
147 139 140 1
148 140 141 1
149 141 142 1
150 139 143 1 #Down
151 140 144 1 #Up
152 137 145 1 #Up
153 145 146 1
154 146 147 1
155 146 148 2
156 132 149 1 #Up
157 149 150 1
158 149 151 2
|
|---|
