| Entry |
|
|---|
| Name |
Galactosylgloboside;
SSEA-3;
Gb5Cer;
Gal-beta1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer
|
|---|
| Formula |
C51H89N2O28R
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Pathway |
| map00603 | Glycosphingolipid biosynthesis - globo and isoglobo series |
|
|---|
| Network |
nt06035 Blood group carbohydrate antigen biosynthesis |
|---|
| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0502 Galalpha1-4Galbeta1-4Glc- (Globo series)
G00097 Gal-beta1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer
Cancer-associated carbohydrates [br08441.html]
Glycosphingolipid
G00097
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 82
1 C1c C 24.7032 -8.5097
2 C1c C 25.8901 -9.2079
3 N1b N 24.7032 -7.1134
4 C1b C 23.4464 -9.2079
5 C2b C 27.1468 -8.4399
6 O1a O 25.8901 -10.6042
7 C5a C 25.8901 -6.3454
8 O2a O 22.2595 -8.5097
9 C2b C 28.3337 -9.1381
10 O5a O 25.8901 -4.9490
11 R R 27.0769 -7.0435
12 C1b C 29.5206 -8.4399
13 C1b C 30.7773 -9.1381
14 C1b C 31.9642 -8.4399
15 C1b C 33.2209 -9.1381
16 C1b C 34.4078 -8.3701
17 C1b C 35.6645 -9.0682
18 C1b C 36.8514 -8.3701
19 C1b C 38.0383 -9.0682
20 C1b C 39.2950 -8.3701
21 C1b C 40.4819 -8.9984
22 C1b C 41.7386 -8.3002
23 C1b C 42.9255 -8.9984
24 C1a C 44.1822 -8.3002
25 C1y C 8.9244 -18.9125
26 C1y C 8.9244 -20.3089
27 O2a O 10.1811 -18.2841
28 O2x O 7.7375 -18.2143
29 C1y C 7.7375 -21.0070
30 N1b N 10.1811 -21.0070
31 C1y C 10.1811 -16.8878
32 C1y C 6.5506 -18.9125
33 C1y C 6.5506 -20.3089
34 O2a O 7.7375 -22.4732
35 C5a C 11.3680 -21.7052
36 C1y C 11.3680 -16.1198
37 C1y C 8.9942 -16.1198
38 C1b C 5.2939 -18.2143
39 O1a O 5.2939 -21.0070
40 C1a C 12.5549 -21.0070
41 O5a O 11.3680 -23.1016
42 C1y C 11.3680 -14.7235
43 O1a O 12.6247 -16.8878
44 C1y C 8.9942 -14.7235
45 O1a O 7.7375 -16.8878
46 O1a O 4.1070 -18.9125
47 O2a O 12.6247 -14.0951
48 O2x O 10.1811 -14.0951
49 C1b C 7.7375 -14.0951
50 C1y C 13.8116 -13.3969
51 O1a O 6.6902 -15.0027
52 C1y C 13.8116 -12.0006
53 C1y C 14.9985 -14.0951
54 O2x O 14.9985 -11.3024
55 C1b C 12.6247 -11.3024
56 C1y C 16.1854 -13.3969
57 O1a O 14.9985 -15.4914
58 C1y C 16.1854 -12.0006
59 O1a O 11.5077 -12.2100
60 O1a O 17.3723 -14.0951
61 O2a O 17.3723 -11.3024
62 C1y C 18.6290 -10.6042
63 C1y C 18.6290 -9.2079
64 C1y C 19.8159 -11.3024
65 O2x O 19.8159 -8.5097
66 C1b C 17.4421 -8.5097
67 C1y C 21.0726 -10.6042
68 O1a O 19.8159 -12.6987
69 C1y C 21.0726 -9.2079
70 O1a O 16.3251 -9.4173
71 O1a O 22.2595 -11.3024
72 C1y C 6.5506 -23.1714
73 C1y C 6.5506 -24.5677
74 O2x O 5.3637 -22.4732
75 C1y C 5.3637 -25.2659
76 O1a O 7.8073 -25.2659
77 C1y C 4.1768 -23.1714
78 C1y C 4.1768 -24.5677
79 O1a O 5.3637 -26.7321
80 C1b C 2.9201 -22.4732
81 O1a O 2.9201 -25.2659
82 O1a O 1.7332 -23.1714
BOND 86
1 22 23 1
2 23 24 1
3 1 2 1
4 1 3 1 #Down
5 1 4 1
6 2 5 1
7 2 6 1 #Up
8 3 7 1
9 4 8 1
10 5 9 2
11 7 10 2
12 7 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 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 30 35 1
34 31 36 1
35 31 37 1
36 32 38 1 #Up
37 33 39 1 #Up
38 35 40 1
39 35 41 2
40 36 42 1
41 36 43 1 #Down
42 37 44 1
43 37 45 1 #Up
44 38 46 1
45 42 47 1 #Down
46 42 48 1
47 44 49 1 #Up
48 50 47 1 #Up
49 49 51 1
50 50 52 1
51 50 53 1
52 52 54 1
53 52 55 1 #Up
54 53 56 1
55 53 57 1 #Up
56 54 58 1
57 55 59 1
58 56 60 1 #Down
59 58 61 1 #Up
60 62 61 1 #Down
61 62 63 1
62 62 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 33 1
72 44 48 1
73 56 58 1
74 67 69 1
75 72 73 1
76 72 74 1
77 73 75 1
78 73 76 1 #Down
79 74 77 1
80 75 78 1
81 75 79 1 #Up
82 77 80 1 #Up
83 78 81 1 #Up
84 80 82 1
85 77 78 1
86 72 34 1 #Up
|
|---|
