| Entry |
|
|---|
| Name |
Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer
|
|---|
| Formula |
C51H89N2O27R
|
|---|
| 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)
G00044 Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3LacCer (Type 1H)
Blood groups and carbohydrate antigens [br08110.html]
ABO blood group
G00044
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 81
1 C1c C 20.8201 -8.0365
2 C1c C 22.0080 -8.7352
3 N1b N 20.7502 -6.6390
4 C1b C 19.5624 -8.7352
5 C2b C 23.1958 -8.0365
6 O1a O 22.0080 -10.1327
7 C5a C 22.0080 -5.9402
8 O2a O 18.3745 -8.0365
9 C2b C 24.4536 -8.6653
10 O5a O 21.9381 -4.5427
11 R R 23.1958 -6.6390
12 C1b C 25.6415 -7.9666
13 C1b C 26.8992 -8.6653
14 C1b C 28.0871 -7.9666
15 C1b C 29.3448 -8.6653
16 C1b C 30.5327 -7.9666
17 C1b C 31.7205 -8.5954
18 C1b C 32.9783 -7.8967
19 C1b C 34.1661 -8.5954
20 C1b C 35.4239 -7.8967
21 C1b C 36.6118 -8.5954
22 C1b C 37.7996 -7.8268
23 C1b C 39.0574 -8.5256
24 C1a C 40.2452 -7.8268
25 C1y C 9.9896 -17.0503
26 C1y C 9.9896 -15.6528
27 C1y C 8.8017 -17.7490
28 N1b N 11.4569 -18.0285
29 O2a O 11.1774 -14.9540
30 O2x O 8.8017 -14.9540
31 O2a O 8.8017 -19.1465
32 C1y C 7.6138 -17.0503
33 C5a C 11.4569 -19.3561
34 C1y C 11.1774 -13.6264
35 C1y C 7.6138 -15.6528
36 C1y C 7.6138 -19.8453
37 O1a O 6.4260 -17.7490
38 C1a C 12.6448 -19.9151
39 O5a O 10.2691 -20.0549
40 C1y C 12.4352 -12.8578
41 C1y C 9.9896 -12.8578
42 C1b C 6.4260 -14.9540
43 O2x O 6.3561 -19.1465
44 C1y C 7.6138 -21.2427
45 C1y C 12.4352 -11.4603
46 O1a O 13.8327 -13.8360
47 C1y C 9.9896 -11.4603
48 O1a O 8.8017 -13.5565
49 O1a O 6.4260 -13.6264
50 C1y C 5.1682 -19.8453
51 C1y C 6.3561 -21.9415
52 O2a O 8.8017 -21.8716
53 O2a O 13.6230 -10.8314
54 O2x O 11.1774 -10.8314
55 C1b C 8.8017 -10.8314
56 C1y C 5.1682 -21.2427
57 C1b C 3.9803 -19.1465
58 O1a O 6.3561 -23.2691
59 C1y C 14.8109 -10.1327
60 O1a O 8.8017 -9.4339
61 O1a O 3.9803 -21.8716
62 O1a O 3.9803 -17.7490
63 C1y C 14.8109 -8.7352
64 C1y C 15.9988 -10.8314
65 O2x O 15.9988 -8.0365
66 C1b C 13.6230 -8.0365
67 C1y C 17.1866 -10.1327
68 O1a O 15.9988 -12.1591
69 C1y C 17.1866 -8.7352
70 O1a O 12.5050 -8.9448
71 O1a O 18.3745 -10.8314
72 C1y C 8.8017 -23.6884
73 C1y C 10.0594 -24.3871
74 O2x O 7.6837 -24.3871
75 C1y C 10.0594 -25.7846
76 O1a O 11.2473 -23.6884
77 C1y C 7.6837 -25.7846
78 C1y C 8.8017 -26.4833
79 O1a O 11.2473 -26.4833
80 C1a C 6.4260 -26.4833
81 O1a O 8.8017 -27.8808
BOND 85
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
|
|---|
