| Entry |
|
|---|
| Name |
IV3NeuAc,III3Fuc-nLc4Cer;
Neu5Ac-alpha2->3Gal-beta1->4(Fuc-alpha1->3)GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
|
|---|
| Formula |
C62H106N3O35R
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Pathway |
| map00601 | Glycosphingolipid biosynthesis - lacto and neolacto series |
|
|---|
| Network |
nt06035 Blood group carbohydrate antigen biosynthesis |
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00063 Neu5Ac-alpha2->3Gal-beta1->4(Fuc-alpha1->3)GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
Blood groups and carbohydrate antigens [br08110.html]
Lewis blood group
G00063
Glycan epitopes [br08111.html]
G00063
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 101
1 C1y C 21.4238 -30.5698
2 C1y C 22.6220 -31.2863
3 C1y C 23.8416 -30.6069
4 C1y C 23.8631 -29.2109
5 C1y C 22.6649 -28.4944
6 O2x O 21.4452 -29.1739
7 O1a O 25.1017 -28.5212
8 O1a O 25.0397 -31.3233
9 O1a O 22.6007 -32.6822
10 C1a C 20.2042 -31.2492
11 C1c C 34.7095 -15.2872
12 C1c C 35.9129 -15.9353
13 N1b N 34.7095 -13.8987
14 C1b C 33.5061 -15.9815
15 C2b C 37.1164 -15.2410
16 O1a O 35.9129 -17.3701
17 C5a C 35.8667 -13.1581
18 O2a O 32.3026 -15.2872
19 C2b C 38.3661 -15.9353
20 O5a O 35.8667 -11.7695
21 R R 37.1164 -13.8524
22 C1b C 39.5696 -15.2410
23 C1b C 40.7730 -15.8890
24 C1b C 41.9764 -15.1947
25 C1b C 43.1798 -15.8890
26 C1b C 44.3832 -15.1947
27 C1b C 45.5868 -15.8426
28 C1b C 46.7902 -15.1484
29 C1b C 48.0399 -15.8426
30 C1b C 49.2433 -15.1022
31 C1b C 50.4468 -15.7964
32 C1b C 51.6502 -15.1022
33 C1b C 52.8536 -15.7964
34 C1a C 54.0571 -15.0559
35 C1y C 23.8786 -22.9244
36 C1y C 23.8786 -24.3130
37 O2a O 25.0820 -22.2302
38 O2x O 22.6752 -22.2302
39 C1y C 22.6752 -24.9837
40 N1b N 25.0820 -25.0073
41 C1y C 25.0820 -20.8416
42 C1y C 21.4716 -22.9244
43 C1y C 21.4716 -24.3130
44 O2a O 22.6752 -26.4422
45 C1y C 26.2855 -20.1472
46 C1y C 23.8786 -20.1472
47 C1b C 20.2682 -22.2302
48 O2a O 20.2682 -25.0073
49 C1y C 26.2855 -18.7587
50 O1a O 27.4888 -20.8416
51 C1y C 23.8786 -18.7587
52 O1a O 22.6752 -20.8416
53 C1y C 19.1110 -25.7016
54 O2a O 27.4888 -18.0644
55 O2x O 25.0820 -18.0644
56 C1b C 22.6752 -18.0644
57 O2x O 17.8614 -25.0073
58 C1y C 19.1110 -27.0902
59 C1y C 28.6923 -17.3701
60 C1y C 16.6580 -25.7016
61 C1y C 17.9314 -27.7608
62 O1a O 20.2682 -27.7845
63 C1y C 28.6923 -15.9815
64 C1y C 29.8958 -18.0644
65 C1y C 16.6580 -27.0902
66 C1b C 15.4545 -25.0073
67 O2a O 17.9314 -29.1731
68 O2x O 29.8958 -15.2872
69 C1b C 27.5352 -15.2872
70 C1y C 31.0992 -17.3701
71 O1a O 29.8958 -19.4530
72 O1a O 15.4545 -27.9940
73 C1y C 31.0992 -15.9815
74 O1a O 26.4706 -16.1667
75 O1a O 32.3026 -18.0644
76 C1z C 16.1025 -30.2377
77 O2x O 14.9454 -29.5434
78 C1x C 16.1025 -31.5799
79 C6a C 17.2597 -30.8394
80 C1y C 13.7420 -30.2377
81 C1y C 14.9454 -32.2743
82 O6a O 18.4168 -30.1450
83 O6a O 17.2597 -32.2280
84 C1y C 13.7420 -31.5799
85 O1a O 14.9454 -33.6165
86 C1c C 12.5385 -29.4971
87 C1c C 12.5385 -28.1085
88 C1b C 11.2888 -27.3679
89 O1a O 11.2888 -25.9331
90 O1a O 11.2888 -30.2377
91 O1a O 13.7420 -27.0885
92 N1b N 12.5385 -32.2743
93 C5a C 12.5385 -33.7092
94 C1a C 11.2888 -34.4034
95 O5a O 13.7420 -34.4034
96 C5a C 26.2850 -24.3122
97 C1a C 27.4618 -24.9911
98 O5a O 26.2850 -22.8904
99 O1a O 14.2612 -25.6963
100 O1a O 19.0675 -22.9241
101 O1a O 21.4683 -18.7614
BOND 106
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Up
8 3 8 1 #Down
9 2 9 1 #Down
10 1 10 1 #Down
11 33 34 1
12 11 12 1
13 11 13 1 #Down
14 11 14 1
15 12 15 1
16 12 16 1 #Up
17 13 17 1
18 14 18 1
19 15 19 2
20 17 20 2
21 17 21 1
22 19 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 35 36 1
35 35 37 1 #Up
36 35 38 1
37 36 39 1
38 36 40 1 #Down
39 41 37 1 #Up
40 38 42 1
41 39 43 1
42 39 44 1 #Up
43 41 45 1
44 41 46 1
45 42 47 1 #Up
46 43 48 1 #Down
47 45 49 1
48 45 50 1 #Down
49 46 51 1
50 46 52 1 #Up
51 53 48 1 #Up
52 49 54 1 #Up
53 49 55 1
54 51 56 1 #Up
55 53 57 1
56 53 58 1
57 59 54 1 #Down
58 57 60 1
59 58 61 1
60 58 62 1 #Down
61 59 63 1
62 59 64 1
63 60 65 1
64 60 66 1 #Up
65 61 67 1 #Up
66 63 68 1
67 63 69 1 #Up
68 64 70 1
69 64 71 1 #Up
70 65 72 1 #Up
71 68 73 1
72 69 74 1
73 70 75 1 #Down
74 73 18 1 #Up
75 42 43 1
76 51 55 1
77 61 65 1
78 70 73 1
79 76 77 1
80 76 67 1 #Down
81 76 78 1
82 76 79 1 #Up
83 77 80 1
84 78 81 1
85 79 82 1
86 79 83 2
87 80 84 1
88 81 85 1 #Down
89 81 84 1
90 80 86 1
91 86 87 1
92 87 88 1
93 88 89 1
94 86 90 1 #Down
95 87 91 1 #Up
96 84 92 1 #Up
97 92 93 1
98 93 94 1
99 93 95 2
100 40 96 1
101 96 97 1
102 96 98 2
103 5 44 1 #Up
104 66 99 1
105 47 100 1
106 56 101 1
|
|---|
