| Entry |
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| Name |
GA2;
GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer;
GalNAc-beta1->4LacCer
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| Formula |
C39H69N2O18R
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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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| Network |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0503 GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series)
G00123 GalNAc-beta1->4LacCer (GA2)
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| Other DBs |
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| KCF data |
ATOM 60
1 O1a O 14.7091 -21.9595
2 C1y C 14.7091 -20.6871
3 C1y C 13.5308 -19.9802
4 C1y C 15.9342 -19.9802
5 C1y C 13.5308 -18.5663
6 O2a O 12.3056 -20.6400
7 C1y C 15.9342 -18.5663
8 O1a O 17.1125 -20.6871
9 O2x O 14.7091 -17.9067
10 C1b C 12.3056 -17.9067
11 C1y C 11.0803 -21.3940
12 O2a O 17.1125 -17.9067
13 C1y C 11.0803 -22.8077
14 O2x O 9.8549 -20.6871
15 C1y C 18.2907 -17.1997
16 C1y C 9.8549 -23.5146
17 N1b N 12.3056 -23.5146
18 C1y C 8.6296 -21.3940
19 C1y C 18.2907 -15.8331
20 C1y C 19.5160 -17.9067
21 C1y C 8.6296 -22.8077
22 O1a O 9.8549 -24.8814
23 C5a C 12.3056 -24.9285
24 C1b C 7.4044 -20.7341
25 O2x O 19.5160 -15.1262
26 C1b C 17.1125 -15.1262
27 C1y C 20.6942 -17.1997
28 O1a O 19.4687 -19.2732
29 O1a O 7.4044 -23.5146
30 C1a C 13.5308 -25.6354
31 O5a O 11.0803 -25.6354
32 C1y C 20.6942 -15.8331
33 O1a O 21.9194 -17.9067
34 O2a O 21.9194 -15.1262
35 C1b C 23.1447 -15.8331
36 C1c C 24.3229 -15.0790
37 C1c C 25.5481 -15.7859
38 N1b N 24.3229 -13.7123
39 C2b C 26.7735 -15.0790
40 O1a O 25.5952 -17.2468
41 C5a C 25.5011 -12.9583
42 C2b C 27.9987 -15.7859
43 O5a O 25.5011 -11.5917
44 R R 26.7263 -13.6653
45 C1b C 29.2240 -15.0318
46 C1b C 30.4494 -15.7387
47 C1b C 31.6746 -15.0318
48 C1b C 32.8999 -15.6918
49 C1b C 34.1253 -14.9848
50 C1b C 35.3505 -15.6918
51 C1b C 36.5758 -14.9848
52 C1b C 37.8012 -15.6445
53 C1b C 39.0264 -14.9376
54 C1b C 40.2517 -15.6445
55 C1b C 41.4770 -14.9376
56 C1b C 42.7023 -15.5974
57 C1a C 43.9276 -14.8905
58 O1a O 15.8764 -15.8123
59 O1a O 11.1027 -18.6494
60 O1a O 6.2015 -21.4771
BOND 62
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Up
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 11 6 1 #Up
11 7 12 1 #Up
12 11 13 1
13 11 14 1
14 15 12 1 #Down
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 18 24 1 #Up
24 19 25 1
25 19 26 1 #Up
26 20 27 1
27 20 28 1 #Up
28 21 29 1 #Up
29 23 30 1
30 23 31 2
31 25 32 1
32 27 33 1 #Down
33 32 34 1 #Up
34 7 9 1
35 18 21 1
36 27 32 1
37 34 35 1
38 35 36 1
39 36 37 1
40 36 38 1 #Down
41 37 39 1
42 37 40 1 #Up
43 38 41 1
44 39 42 2
45 41 43 2
46 41 44 1
47 42 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 26 58 1
61 10 59 1
62 24 60 1
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