| Entry |
|
|---|
| Name |
3'-isoLM1;
IV3-a-Neu5Ac-Lc4Cer;
sLc4Cer;
Neu5Ac-alpha2->3Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
|
|---|
| Formula |
C56H96N3O31R
|
|---|
| 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
G00047 Neu5Ac-alpha2->3Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
Glycan epitopes [br08111.html]
G00047
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 91
1 C1y C 12.2449 -32.4280
2 C1y C 12.2449 -33.8321
3 O2x O 13.4625 -31.7348
4 C1c C 11.0272 -31.7348
5 C1y C 13.4625 -34.5370
6 N1b N 11.0272 -34.5370
7 C1z C 14.6684 -32.4280
8 C1c C 11.0330 -30.3306
9 O1a O 9.8153 -32.4280
10 C1x C 14.6684 -33.8321
11 O1a O 13.4625 -35.9351
12 C5a C 11.0330 -35.9292
13 C6a C 15.9388 -33.1819
14 C1b C 9.8153 -29.6258
15 O1a O 12.2449 -29.6258
16 C1a C 9.8270 -36.6283
17 O5a O 12.2389 -36.6226
18 O1a O 9.8153 -28.2275
19 C1c C 30.1395 -14.7651
20 C1c C 31.3728 -15.4497
21 N1b N 30.1278 -13.3610
22 C1b C 28.9295 -15.4790
23 C2b C 32.5815 -14.7417
24 O1a O 31.3845 -16.8597
25 C5a C 31.3249 -12.6471
26 O2a O 27.7077 -14.7885
27 C2b C 33.8033 -15.4263
28 O5a O 31.3832 -11.2488
29 R R 32.5464 -13.3376
30 C1b C 35.0191 -14.7183
31 C1b C 36.2395 -15.4030
32 C1b C 37.4553 -14.6949
33 C1b C 38.6771 -15.3796
34 C1b C 39.8915 -14.6715
35 C1b C 41.1133 -15.3491
36 C1b C 42.3290 -14.6353
37 C1b C 43.5565 -15.3257
38 C1b C 44.7653 -14.6119
39 C1b C 45.9929 -15.3023
40 C1b C 47.2029 -14.5885
41 C1b C 48.4291 -15.2789
42 C1a C 49.6391 -14.5651
43 C1y C 19.3252 -23.7949
44 C1y C 19.3252 -22.4030
45 C1y C 18.1080 -24.5010
46 N1b N 20.7981 -24.7695
47 O2a O 20.5108 -21.7169
48 O2x O 18.1080 -21.7169
49 O2a O 18.1080 -25.8873
50 C1y C 16.9151 -23.7949
51 C5a C 20.7981 -26.1429
52 C1y C 20.5237 -20.3379
53 C1y C 16.9151 -22.4030
54 C1y C 16.9151 -26.5732
55 O1a O 15.7168 -24.4822
56 C1a C 22.0025 -26.6916
57 O5a O 19.5996 -26.8288
58 C1y C 21.7350 -19.6189
59 C1y C 19.3252 -19.6189
60 C1b C 15.7168 -21.7169
61 O2x O 15.7050 -25.8873
62 C1y C 16.9151 -27.9710
63 C1y C 21.7350 -18.2270
64 O1a O 23.2010 -20.5934
65 C1y C 19.3252 -18.2270
66 O1a O 18.1267 -20.3191
67 C1y C 14.5123 -26.5732
68 C1y C 15.7050 -28.6771
69 O1a O 18.1080 -28.6583
70 O2a O 22.9335 -17.5410
71 O2x O 20.5237 -17.5410
72 C1b C 18.1267 -17.5410
73 C1y C 14.5123 -27.9710
74 C1b C 13.3138 -25.8873
75 O2a O 15.7050 -30.5531
76 C1y C 24.1191 -16.8478
77 O1a O 13.3079 -28.5183
78 C1y C 24.1191 -15.4688
79 C1y C 25.3049 -17.5410
80 O2x O 25.3049 -14.7885
81 C1b C 22.9335 -14.7885
82 C1y C 26.5092 -16.8478
83 O1a O 25.3176 -18.9270
84 C1y C 26.5092 -15.4688
85 O1a O 21.8710 -15.6681
86 O1a O 27.7077 -17.5410
87 O1a O 12.0868 -26.5987
88 O1a O 14.5378 -22.4005
89 O1a O 16.9056 -18.2488
90 O6a O 17.0554 -32.3081
91 O6a O 15.9948 -34.5690
BOND 95
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 8 15 1 #Up
15 12 16 1
16 12 17 2
17 14 18 1
18 7 10 1
19 41 42 1
20 19 20 1
21 19 21 1 #Down
22 19 22 1
23 20 23 1
24 20 24 1 #Up
25 21 25 1
26 22 26 1
27 23 27 2
28 25 28 2
29 25 29 1
30 27 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 41 1
42 43 44 1
43 43 45 1
44 43 46 1 #Down
45 44 47 1 #Up
46 44 48 1
47 45 49 1 #Up
48 45 50 1
49 46 51 1
50 52 47 1 #Up
51 48 53 1
52 54 49 1 #Up
53 50 55 1 #Down
54 51 56 1
55 51 57 2
56 52 58 1
57 52 59 1
58 53 60 1 #Up
59 54 61 1
60 54 62 1
61 58 63 1
62 58 64 1 #Down
63 59 65 1
64 59 66 1 #Up
65 61 67 1
66 62 68 1
67 62 69 1 #Down
68 63 70 1 #Up
69 63 71 1
70 65 72 1 #Up
71 67 73 1
72 67 74 1 #Up
73 68 75 1 #Up
74 76 70 1 #Down
75 73 77 1 #Up
76 76 78 1
77 76 79 1
78 78 80 1
79 78 81 1 #Up
80 79 82 1
81 79 83 1 #Up
82 80 84 1
83 81 85 1
84 82 86 1 #Down
85 84 26 1 #Up
86 50 53 1
87 65 71 1
88 68 73 1
89 82 84 1
90 74 87 1
91 60 88 1
92 72 89 1
93 7 75 1 #Down
94 13 90 1
95 13 91 2
|
|---|
