| Entry |
|
|---|
| Name |
Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer
|
|---|
| Formula |
C57H99N2O32R
|
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| Structure |
|
|---|
| Remark |
|
|---|
| Comment |
Generic compound in reaction hierarchy
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00601 | Glycosphingolipid biosynthesis - lacto and neolacto series |
|
|---|
| Network |
nt06035 Blood group carbohydrate antigen biosynthesis |
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0504 Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series)
G00039 Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer (Type 1B)
Blood groups and carbohydrate antigens [br08110.html]
ABO blood group
G00039
Glycan epitopes [br08111.html]
G00039
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 92
1 C1c C 22.0082 -8.0064
2 C1c C 23.2026 -8.7090
3 N1b N 21.9379 -6.6013
4 C1b C 20.7436 -8.7090
5 C2b C 24.3969 -8.0064
6 O1a O 23.2026 -10.1141
7 C5a C 23.2026 -5.8987
8 O2a O 19.5492 -8.0064
9 C2b C 25.6615 -8.6387
10 O5a O 23.1323 -4.4936
11 R R 24.3969 -6.6013
12 C1b C 26.8559 -7.9362
13 C1b C 28.1205 -8.6387
14 C1b C 29.3149 -7.9362
15 C1b C 30.5795 -8.6387
16 C1b C 31.7738 -7.9362
17 C1b C 32.9682 -8.5685
18 C1b C 34.2328 -7.8659
19 C1b C 35.4272 -8.5685
20 C1b C 36.6918 -7.8659
21 C1b C 37.8861 -8.5685
22 C1b C 39.0805 -7.7956
23 C1b C 40.3451 -8.4982
24 C1a C 41.5395 -7.7956
25 C1y C 11.1887 -17.0695
26 C1y C 11.1887 -15.6644
27 C1y C 9.9944 -17.7720
28 N1b N 12.6641 -18.0531
29 O2a O 12.3831 -14.9618
30 O2x O 9.9944 -14.9618
31 O2a O 9.9944 -19.1772
32 C1y C 8.8000 -17.0695
33 C5a C 12.6641 -19.3879
34 C1y C 12.3831 -13.6269
35 C1y C 8.8000 -15.6644
36 C1y C 8.8000 -19.8797
37 O1a O 7.6056 -17.7720
38 C1a C 13.8585 -19.9500
39 O5a O 11.4697 -20.0202
40 C1y C 13.6477 -12.8541
41 C1y C 11.1887 -12.8541
42 C1b C 7.6056 -14.9618
43 O2x O 7.5354 -19.1772
44 C1y C 8.8000 -21.2146
45 C1y C 13.6477 -11.4490
46 O1a O 15.0528 -13.8377
47 C1y C 11.1887 -11.4490
48 O1a O 9.9944 -13.5567
49 O1a O 7.6056 -13.6269
50 C1y C 6.3410 -19.8797
51 C1y C 7.5354 -21.9172
52 O2a O 9.9944 -21.8469
53 O2a O 14.8420 -10.8167
54 O2x O 12.3831 -10.8167
55 C1b C 9.9944 -10.8167
56 C1y C 6.3410 -21.2146
57 C1b C 5.1467 -19.1772
58 O2a O 7.5354 -23.2520
59 C1y C 16.0364 -10.1141
60 O1a O 9.9944 -9.4115
61 O1a O 5.1467 -21.8469
62 O1a O 5.1467 -17.7720
63 C1y C 16.0364 -8.7090
64 C1y C 17.2308 -10.8167
65 O2x O 17.2308 -8.0064
66 C1b C 14.8420 -8.0064
67 C1y C 18.4251 -10.1141
68 O1a O 17.2308 -12.1515
69 C1y C 18.4251 -8.7090
70 O1a O 13.7179 -8.9197
71 O1a O 19.5492 -10.8167
72 C1y C 9.9944 -23.6736
73 C1y C 11.2590 -24.3761
74 O2x O 8.8703 -24.3761
75 C1y C 11.2590 -25.7813
76 O1a O 12.4533 -23.6736
77 C1y C 8.8703 -25.7813
78 C1y C 9.9944 -26.4838
79 O1a O 12.4533 -26.4838
80 C1a C 8.0974 -27.0459
81 O1a O 9.9944 -27.8890
82 C1y C 6.3410 -23.9546
83 O2x O 5.1467 -23.2520
84 C1y C 6.3410 -25.3597
85 C1y C 3.8820 -23.9546
86 C1y C 5.1467 -26.0623
87 C1y C 3.8820 -25.3597
88 C1b C 2.7579 -23.2520
89 O1a O 5.1467 -27.4674
90 O1a O 2.7579 -26.0623
91 O1a O 2.7579 -21.9172
92 O1a O 7.4905 -25.4953
BOND 97
1 23 24 1
2 1 2 1
3 1 3 1 #Down
4 1 4 1
5 2 5 1
6 2 6 1 #Up
7 3 7 1
8 4 8 1
9 5 9 2
10 7 10 2
11 7 11 1
12 9 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 25 26 1
25 25 27 1
26 25 28 1 #Down
27 26 29 1 #Up
28 26 30 1
29 27 31 1 #Up
30 27 32 1
31 28 33 1
32 34 29 1 #Up
33 30 35 1
34 36 31 1 #Up
35 32 37 1 #Down
36 33 38 1
37 33 39 2
38 34 40 1
39 34 41 1
40 35 42 1 #Up
41 36 43 1
42 36 44 1
43 40 45 1
44 40 46 1 #Down
45 41 47 1
46 41 48 1 #Up
47 42 49 1
48 43 50 1
49 44 51 1
50 44 52 1 #Down
51 45 53 1 #Up
52 45 54 1
53 47 55 1 #Up
54 50 56 1
55 50 57 1 #Up
56 51 58 1 #Up
57 59 53 1 #Down
58 55 60 1
59 56 61 1 #Up
60 57 62 1
61 59 63 1
62 59 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 35 1
72 47 54 1
73 51 56 1
74 67 69 1
75 72 52 1 #Up
76 72 73 1
77 72 74 1
78 73 75 1
79 73 76 1 #Up
80 74 77 1
81 75 78 1
82 75 79 1 #Down
83 77 80 1 #Down
84 78 81 1 #Down
85 77 78 1
86 82 58 1 #Down
87 82 83 1
88 82 84 1
89 83 85 1
90 84 86 1
91 85 87 1
92 85 88 1 #Up
93 86 89 1 #Up
94 87 90 1 #Up
95 88 91 1
96 86 87 1
97 84 92 1 #Down
|
|---|
