| Entry |
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| Name |
GD1b;
Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
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| Formula |
C67H113N4O39R
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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
G00115 Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GD1b)
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| Other DBs |
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| KCF data |
ATOM 111
1 C1z C 18.7600 -18.9000
2 O2a O 16.3333 -16.5667
3 O2x O 18.7600 -20.3000
4 C1x C 19.8800 -18.2467
5 C6a C 17.5467 -19.2267
6 C1y C 16.3333 -15.3067
7 C1y C 19.9267 -20.9533
8 C1y C 21.0933 -18.9000
9 C1y C 15.1667 -14.6067
10 C1y C 17.5000 -14.6067
11 C1y C 21.0933 -20.2533
12 C1c C 19.9267 -22.3067
13 O1a O 22.2133 -18.2467
14 C1y C 15.1667 -13.2533
15 O2a O 14.0000 -15.2600
16 C1y C 17.5000 -13.2533
17 O1a O 18.6667 -15.3067
18 N1b N 22.2133 -20.9533
19 C1c C 18.8067 -22.9600
20 O1a O 21.1400 -22.9600
21 O2x O 16.3333 -12.6000
22 C1b C 14.0000 -12.6000
23 C1y C 12.7867 -16.0067
24 O2a O 18.6667 -12.6000
25 C5a C 23.4267 -20.2533
26 O2a O 17.6400 -22.3067
27 C1b C 18.8067 -24.2667
28 C1y C 12.7867 -17.3600
29 O2x O 11.6200 -15.3067
30 C1y C 19.7867 -11.9467
31 O5a O 23.4267 -18.9000
32 C1a C 24.5467 -20.9067
33 C1z C 14.1867 -24.8267
34 O1a O 17.6400 -24.9667
35 C1y C 11.6200 -18.0600
36 N1b N 14.0000 -18.0600
37 C1y C 10.4067 -16.0067
38 C1y C 19.7867 -10.5933
39 C1y C 21.0000 -12.6000
40 C1y C 10.4067 -17.3600
41 O2a O 11.6200 -19.3667
42 C5a C 14.0000 -19.4133
43 C1b C 9.2400 -15.3533
44 O2x O 21.0000 -9.8933
45 C1b C 18.6667 -9.8933
46 C1y C 22.1200 -11.9467
47 O1a O 20.9533 -13.9533
48 O1a O 9.2400 -18.0600
49 C1a C 15.1667 -20.1133
50 O5a O 12.7867 -20.1133
51 C1y C 22.1200 -10.5933
52 O1a O 23.3333 -12.6000
53 O2a O 23.3333 -9.8933
54 C1b C 24.5000 -10.5933
55 C1c C 25.6667 -9.8933
56 C1c C 26.8333 -10.5467
57 N1b N 25.6667 -8.5400
58 C2b C 28.0467 -9.8933
59 O1a O 26.8800 -11.9933
60 C5a C 26.7867 -7.7933
61 C2b C 29.2133 -10.5467
62 O5a O 26.7867 -6.4867
63 R R 28.0000 -8.4933
64 C1b C 30.3800 -9.8467
65 C1b C 31.5933 -10.5000
66 C1b C 32.7600 -9.8467
67 C1b C 33.9733 -10.4533
68 C1b C 35.1400 -9.8000
69 C1b C 36.3533 -10.4533
70 C1b C 37.5200 -9.8000
71 C1b C 38.7333 -10.4067
72 C1b C 39.9000 -9.7533
73 C1b C 41.1133 -10.4067
74 C1b C 42.2800 -9.7533
75 C1b C 43.4933 -10.3600
76 C1a C 44.6600 -9.7067
77 O6a O 16.6133 -18.2933
78 O6a O 17.1733 -20.5800
79 O2x O 12.8333 -24.8267
80 C1x C 14.8400 -25.9933
81 C1y C 12.1333 -26.0400
82 C1y C 14.2333 -27.1600
83 C1y C 12.8333 -27.1600
84 O1a O 14.8400 -28.3267
85 C1c C 10.7333 -26.0400
86 C1c C 10.0333 -24.8267
87 C1b C 8.6333 -24.8267
88 O1a O 7.8867 -23.6600
89 O1a O 10.0333 -27.3000
90 O1a O 10.6867 -23.6133
91 N1b N 12.1333 -28.3733
92 C5a C 12.8333 -29.5867
93 C1a C 12.1333 -30.7533
94 O5a O 14.2333 -29.5867
95 C6a C 14.1867 -23.4733
96 O6a O 15.1667 -22.5633
97 O6a O 12.9267 -22.7733
98 O1a O 17.4533 -10.5933
99 O1a O 12.8333 -13.3467
100 O1a O 8.0733 -16.1000
101 C1y C 7.9800 -20.0667
102 C1y C 7.9800 -21.4667
103 C1y C 9.1933 -22.1667
104 C1y C 10.4067 -21.4667
105 C1y C 10.4067 -20.0667
106 O2x O 9.1933 -19.3667
107 O1a O 6.7667 -22.1667
108 C1b C 6.7667 -19.3667
109 O1a O 9.1933 -23.4267
110 O1a O 11.6200 -22.1667
111 O1a O 5.5533 -20.0667
BOND 116
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 33 26 1 #Down
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 #Down
88 82 83 1
89 81 85 1
90 85 86 1
91 86 87 1
92 87 88 1
93 85 89 1 #Down
94 86 90 1 #Up
95 83 91 1 #Up
96 91 92 1
97 92 93 1
98 92 94 2
99 33 95 1 #Up
100 95 96 1
101 95 97 2
102 45 98 1
103 22 99 1
104 43 100 1
105 101 102 1
106 102 103 1
107 103 104 1
108 104 105 1
109 105 106 1
110 101 106 1
111 105 41 1 #Up
112 102 107 1 #Up
113 101 108 1 #Up
114 103 109 1 #Up
115 104 110 1 #Down
116 108 111 1
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