| Entry |
|
|---|
| Name |
beta-D-Galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide;
beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide;
D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
|
|---|
| Formula |
C45H79N2O23R
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Comment |
Generic compound in reaction hierarchy
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00601 | Glycosphingolipid biosynthesis - lacto and neolacto series |
|
|---|
| Network |
nt06035 Blood group carbohydrate antigen biosynthesis |
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0505 Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series)
G00050 Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer (nLcCer)
Glycan epitopes [br08111.html]
G00050
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00050
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 71
1 C1c C 28.0698 -13.7334
2 C1c C 29.3037 -14.4181
3 N1b N 28.0581 -12.3285
4 C1b C 26.8592 -14.4475
5 C2b C 30.5129 -13.7100
6 O1a O 29.3154 -15.8290
7 C5a C 29.2556 -11.6144
8 O2a O 25.6368 -13.7568
9 C2b C 31.7353 -14.3947
10 O5a O 29.2439 -10.2152
11 R R 30.4778 -12.3050
12 C1b C 32.9517 -13.6866
13 C1b C 34.1728 -14.3715
14 C1b C 35.3892 -13.6631
15 C1b C 36.6116 -14.3480
16 C1b C 37.8266 -13.6397
17 C1b C 39.0490 -14.3177
18 C1b C 40.2654 -13.6034
19 C1b C 41.4935 -14.2942
20 C1b C 42.7028 -13.5800
21 C1b C 43.9309 -14.2708
22 C1b C 45.1415 -13.5566
23 C1b C 46.3684 -14.2474
24 C1a C 47.5791 -13.5331
25 C1y C 17.1675 -21.4576
26 C1y C 17.1675 -22.8623
27 O2a O 18.3647 -20.7579
28 O2x O 15.9387 -20.7579
29 C1y C 15.9387 -23.5747
30 N1b N 18.3776 -23.5561
31 C1y C 18.3776 -19.3589
32 C1y C 14.7416 -21.4576
33 C1y C 14.7416 -22.8623
34 O1a O 15.9387 -24.9668
35 C1y C 19.5935 -18.6535
36 C1y C 17.1675 -18.6535
37 C1b C 13.5313 -20.7579
38 O2a O 13.5256 -23.5561
39 C1y C 19.5935 -17.2416
40 O1a O 20.8036 -19.3460
41 C1y C 17.1675 -17.2416
42 O1a O 15.9575 -19.3401
43 C1y C 12.3285 -24.2556
44 O2a O 20.8036 -16.5421
45 O2x O 18.3776 -16.5421
46 C1b C 15.9575 -16.5421
47 O2x O 11.0995 -23.5620
48 C1y C 12.3285 -25.6605
49 C1y C 22.0137 -15.8424
50 C1y C 9.8894 -24.2556
51 C1y C 11.0995 -26.3789
52 O1a O 13.5313 -26.3600
53 C1y C 22.0137 -14.4436
54 C1y C 23.2108 -16.5421
55 C1y C 9.8894 -25.6605
56 C1b C 8.6795 -23.5620
57 O1a O 11.0995 -27.7650
58 O2x O 23.2108 -13.7568
59 C1b C 20.8165 -13.7568
60 C1y C 24.4396 -15.8424
61 O1a O 23.2167 -17.9411
62 O1a O 8.6795 -26.3600
63 C1y C 24.4396 -14.4436
64 O1a O 19.7579 -14.6513
65 O1a O 25.6368 -16.5421
66 C5a C 19.6224 -22.8900
67 C1a C 20.8349 -23.5900
68 O5a O 19.5750 -21.4907
69 O1a O 14.7561 -17.2346
70 O1a O 12.2885 -21.4740
71 O1a O 7.4575 -24.2723
BOND 74
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 #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 31 35 1
34 31 36 1
35 32 37 1 #Up
36 33 38 1 #Down
37 35 39 1
38 35 40 1 #Down
39 36 41 1
40 36 42 1 #Up
41 43 38 1 #Up
42 39 44 1 #Up
43 39 45 1
44 41 46 1 #Up
45 43 47 1
46 43 48 1
47 49 44 1 #Down
48 47 50 1
49 48 51 1
50 48 52 1 #Down
51 49 53 1
52 49 54 1
53 50 55 1
54 50 56 1 #Up
55 51 57 1 #Up
56 53 58 1
57 53 59 1 #Up
58 54 60 1
59 54 61 1 #Up
60 55 62 1 #Up
61 58 63 1
62 59 64 1
63 60 65 1 #Down
64 63 8 1 #Up
65 32 33 1
66 41 45 1
67 51 55 1
68 60 63 1
69 30 66 1
70 66 67 1
71 66 68 2
72 46 69 1
73 37 70 1
74 56 71 1
|
|---|
