| Entry |
|
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| Name |
N-Acetyl-D-galactosaminyl-N-acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide;
Forssman hapten;
GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer;
GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4LacCer
|
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| Formula |
C53H92N3O28R
|
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| Structure |
|
|---|
| Remark |
|
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| Comment |
Generic compound in reaction hierarchy
|
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| Reaction |
|
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| Pathway |
| map00603 | Glycosphingolipid biosynthesis - globo and isoglobo series |
|
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| Network |
nt06035 Blood group carbohydrate antigen biosynthesis |
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0502 Galalpha1-4Galbeta1-4Glc- (Globo series)
G00095 GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer
Blood groups and carbohydrate antigens [br08110.html]
Forssman blood group
G00095
Glycan epitopes [br08111.html]
G00095
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00095
|
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| Other DBs |
|
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| KCF data |
ATOM 85
1 C1c C 29.4700 -11.6200
2 C1c C 30.6600 -12.3200
3 N1b N 29.4700 -10.2200
4 C1b C 28.2100 -12.3200
5 C2b C 31.9200 -11.5500
6 O1a O 30.6600 -13.7200
7 C5a C 30.6600 -9.4500
8 O2a O 27.0200 -11.6200
9 C2b C 33.1100 -12.2500
10 O5a O 30.6600 -8.0500
11 R R 31.8500 -10.1500
12 C1b C 34.3000 -11.5500
13 C1b C 35.5600 -12.2500
14 C1b C 36.7500 -11.5500
15 C1b C 38.0100 -12.2500
16 C1b C 39.2000 -11.4800
17 C1b C 40.4600 -12.1800
18 C1b C 41.6500 -11.4800
19 C1b C 42.8400 -12.1800
20 C1b C 44.1000 -11.4800
21 C1b C 45.2900 -12.1100
22 C1b C 46.5500 -11.4100
23 C1b C 47.7400 -12.1100
24 C1a C 49.0000 -11.4100
25 C1y C 13.6500 -22.0500
26 C1y C 13.6500 -23.4500
27 O2a O 14.9100 -21.4200
28 O2x O 12.4600 -21.3500
29 C1y C 12.4600 -24.1500
30 N1b N 14.9100 -24.1500
31 C1y C 14.9100 -20.0200
32 C1y C 11.2700 -22.0500
33 C1y C 11.2700 -23.4500
34 O2a O 12.4600 -25.6200
35 C5a C 16.1000 -24.8500
36 C1y C 16.1000 -19.2500
37 C1y C 13.7200 -19.2500
38 C1b C 10.0100 -21.3500
39 O1a O 10.0100 -24.1500
40 C1a C 17.2900 -24.1500
41 O5a O 16.1000 -26.2500
42 C1y C 16.1000 -17.8500
43 O1a O 17.3600 -20.0200
44 C1y C 13.7200 -17.8500
45 O1a O 12.4600 -20.0200
46 O1a O 8.8200 -22.0500
47 O2a O 17.3600 -17.2200
48 O2x O 14.9100 -17.2200
49 C1b C 12.4600 -17.2200
50 C1y C 18.5500 -16.5200
51 O1a O 11.4100 -18.1300
52 C1y C 18.5500 -15.1200
53 C1y C 19.7400 -17.2200
54 O2x O 19.7400 -14.4200
55 C1b C 17.3600 -14.4200
56 C1y C 20.9300 -16.5200
57 O1a O 19.7400 -18.6200
58 C1y C 20.9300 -15.1200
59 O1a O 16.2400 -15.3300
60 O1a O 22.1200 -17.2200
61 O2a O 22.1200 -14.4200
62 C1y C 23.3800 -13.7200
63 C1y C 23.3800 -12.3200
64 C1y C 24.5700 -14.4200
65 O2x O 24.5700 -11.6200
66 C1b C 22.1900 -11.6200
67 C1y C 25.8300 -13.7200
68 O1a O 24.5700 -15.8200
69 C1y C 25.8300 -12.3200
70 O1a O 21.0700 -12.5300
71 O1a O 27.0200 -14.4200
72 C1y C 11.2700 -26.3200
73 C1y C 11.2700 -27.7200
74 O2x O 10.0800 -25.6200
75 C1y C 10.0800 -28.4200
76 N1b N 12.5300 -28.4200
77 C1y C 8.8900 -26.3200
78 C1y C 8.8900 -27.7200
79 O1a O 10.0800 -29.8900
80 C5a C 13.7200 -29.1200
81 C1b C 7.6300 -25.6200
82 O1a O 7.6300 -28.4200
83 C1a C 14.9100 -28.4200
84 O5a O 13.7200 -30.5200
85 O1a O 6.4400 -26.3200
BOND 89
1 22 23 1
2 23 24 1
3 1 2 1
4 1 3 1 #Down
5 1 4 1
6 2 5 1
7 2 6 1 #Up
8 3 7 1
9 4 8 1
10 5 9 2
11 7 10 2
12 7 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 25 26 1
25 25 27 1 #Up
26 25 28 1
27 26 29 1
28 26 30 1 #Down
29 31 27 1 #Up
30 28 32 1
31 29 33 1
32 29 34 1 #Up
33 30 35 1
34 31 36 1
35 31 37 1
36 32 38 1 #Up
37 33 39 1 #Up
38 35 40 1
39 35 41 2
40 36 42 1
41 36 43 1 #Down
42 37 44 1
43 37 45 1 #Up
44 38 46 1
45 42 47 1 #Down
46 42 48 1
47 44 49 1 #Up
48 50 47 1 #Up
49 49 51 1
50 50 52 1
51 50 53 1
52 52 54 1
53 52 55 1 #Up
54 53 56 1
55 53 57 1 #Up
56 54 58 1
57 55 59 1
58 56 60 1 #Down
59 58 61 1 #Up
60 62 61 1 #Down
61 62 63 1
62 62 64 1
63 63 65 1
64 63 66 1 #Up
65 64 67 1
66 64 68 1 #Up
67 65 69 1
68 66 70 1
69 67 71 1 #Down
70 69 8 1 #Up
71 32 33 1
72 44 48 1
73 56 58 1
74 67 69 1
75 72 73 1
76 72 74 1
77 73 75 1
78 73 76 1 #Down
79 74 77 1
80 75 78 1
81 75 79 1 #Up
82 76 80 1
83 77 81 1 #Up
84 78 82 1 #Up
85 80 83 1
86 80 84 2
87 81 85 1
88 77 78 1
89 72 34 1 #Down
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