| Entry |
|
|---|
| Name |
GA1;
Gal-beta1->3GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer;
Gal-beta1->3GalNAc-beta1->4LacCer
|
|---|
| Formula |
C45H79N2O23R
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Comment |
Generic compound in reaction hierarchy
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00604 | Glycosphingolipid biosynthesis - ganglio series |
|
|---|
| Network |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0503 GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series)
G00124 Gal-beta1->3GalNAc-beta1->4LacCer (GA1)
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00124
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 71
1 O1a O 15.9415 -20.2039
2 C1y C 15.9415 -18.9318
3 C1y C 14.7636 -18.2251
4 C1y C 17.1664 -18.2251
5 C1y C 14.7636 -16.8116
6 O2a O 13.5387 -18.8848
7 C1y C 17.1664 -16.8116
8 O1a O 18.3443 -18.9318
9 O2x O 15.9415 -16.1522
10 C1b C 13.5387 -16.1522
11 C1y C 12.3138 -19.6386
12 O2a O 18.3443 -16.1522
13 C1y C 12.3138 -21.0519
14 O2x O 11.0888 -18.9318
15 C1y C 19.5221 -15.4454
16 C1y C 11.0888 -21.7586
17 N1b N 13.5387 -21.7586
18 C1y C 9.8638 -19.6386
19 C1y C 19.5221 -14.0792
20 C1y C 20.7472 -16.1522
21 C1y C 9.8638 -21.0519
22 O2a O 11.0888 -23.1250
23 C5a C 13.5387 -23.1721
24 C1b C 8.6390 -18.9788
25 O2x O 20.7472 -13.3725
26 C1b C 18.3443 -13.3725
27 C1y C 21.9249 -15.4454
28 O1a O 20.6999 -17.5183
29 O1a O 8.6390 -21.7586
30 C1a C 14.7636 -23.8788
31 O5a O 12.3138 -23.8788
32 C1y C 21.9249 -14.0792
33 O1a O 23.1499 -16.1522
34 O2a O 23.1499 -13.3725
35 C1b C 24.3748 -14.0792
36 C1c C 25.5527 -13.3253
37 C1c C 26.7776 -14.0320
38 N1b N 25.5527 -11.9590
39 C2b C 28.0026 -13.3253
40 O1a O 26.8246 -15.4925
41 C5a C 26.7305 -11.2052
42 C2b C 29.2275 -14.0320
43 O5a O 26.7305 -9.8390
44 R R 27.9554 -11.9120
45 C1b C 30.4523 -13.2781
46 C1b C 31.6775 -13.9848
47 C1b C 32.9023 -13.2781
48 C1b C 34.1273 -13.9380
49 C1b C 35.3523 -13.2312
50 C1b C 36.5771 -13.9380
51 C1b C 37.8022 -13.2312
52 C1b C 39.0271 -13.8907
53 C1b C 40.2521 -13.1840
54 C1b C 41.4770 -13.8907
55 C1b C 42.7019 -13.1840
56 C1b C 43.9269 -13.8436
57 C1a C 45.1518 -13.1369
58 O1a O 17.1086 -14.0584
59 O1a O 12.3361 -16.8947
60 O1a O 7.4364 -19.7216
61 C1y C 9.8638 -23.8321
62 O2x O 8.6580 -23.1358
63 C1y C 7.4459 -23.8356
64 C1y C 7.4458 -25.2352
65 C1y C 8.6517 -25.9314
66 C1y C 9.8638 -25.2317
67 O1a O 11.0821 -25.9351
68 O1a O 8.6516 -27.3391
69 O1a O 6.2285 -25.9379
70 C1b C 6.2325 -23.1349
71 O1a O 5.0151 -23.8377
BOND 74
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Up
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 11 6 1 #Up
11 7 12 1 #Up
12 11 13 1
13 11 14 1
14 15 12 1 #Down
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 18 24 1 #Up
24 19 25 1
25 19 26 1 #Up
26 20 27 1
27 20 28 1 #Up
28 21 29 1 #Up
29 23 30 1
30 23 31 2
31 25 32 1
32 27 33 1 #Down
33 32 34 1 #Up
34 7 9 1
35 18 21 1
36 27 32 1
37 34 35 1
38 35 36 1
39 36 37 1
40 36 38 1 #Down
41 37 39 1
42 37 40 1 #Up
43 38 41 1
44 39 42 2
45 41 43 2
46 41 44 1
47 42 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 26 58 1
61 10 59 1
62 24 60 1
63 61 22 1 #Up
64 61 62 1
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 61 66 1
70 66 67 1 #Down
71 65 68 1 #Up
72 64 69 1 #Up
73 63 70 1 #Up
74 70 71 1
|
|---|
