| Entry |
|
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| Name |
iGb5Cer;
GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer
|
|---|
| Formula |
C53H92N3O28R
|
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| Structure |
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|---|
| Remark |
|
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| Pathway |
| map00603 | Glycosphingolipid biosynthesis - globo and isoglobo series |
|
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| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0506 Galalpha1-3Galbeta1-4Glc- (Isoglobo series)
G02977 GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer (iGb5Cer)
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| Other DBs |
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| KCF data |
ATOM 85
1 O2a O 21.9314 -11.3154
2 C1y C 23.1912 -10.6154
3 C1y C 23.1912 -9.2156
4 C1y C 24.3111 -11.3619
5 O2x O 24.4045 -8.6089
6 C1b C 21.9781 -8.5156
7 C1y C 25.6177 -10.6620
8 O1a O 24.3111 -12.7618
9 C1y C 25.6177 -9.3088
10 O1a O 20.7649 -9.2621
11 O1a O 26.7376 -11.4086
12 O2a O 26.8309 -8.6556
13 C1b C 28.0442 -9.3088
14 C1c C 29.2574 -8.6089
15 C1c C 30.5172 -9.3088
16 N1b N 29.2574 -7.2090
17 C2b C 31.7304 -8.6089
18 O1a O 30.5172 -10.7087
19 C5a C 30.4705 -6.5091
20 C2b C 32.9437 -9.2621
21 O5a O 30.4705 -5.1092
22 R R 31.6838 -7.2090
23 C1b C 34.1569 -8.5622
24 C1b C 35.3701 -9.2621
25 C1b C 36.5834 -8.5622
26 C1b C 37.8432 -9.2156
27 C1b C 39.0564 -8.5156
28 C1b C 40.2696 -9.2156
29 C1b C 41.4829 -8.4689
30 C1b C 42.6961 -9.1689
31 C1b C 43.9560 -8.4689
32 C1b C 45.1692 -9.1689
33 C1b C 46.3824 -8.4689
34 C1b C 47.5956 -9.1222
35 C1a C 48.8088 -8.4222
36 C1y C 18.2917 -12.0153
37 C1y C 18.2917 -13.4152
38 O2x O 19.5050 -11.3154
39 C1b C 17.0785 -11.3154
40 C1y C 19.5050 -14.1151
41 O1a O 17.0785 -14.1151
42 C1y C 20.7182 -12.0153
43 O1a O 16.0053 -12.2019
44 C1y C 20.7182 -13.4152
45 O2a O 19.5050 -15.5150
46 O1a O 21.9314 -14.1151
47 C1y C 15.8653 -16.2149
48 C1y C 15.8653 -17.6148
49 O2x O 17.0785 -15.5150
50 C1b C 14.6521 -15.5150
51 C1y C 17.0785 -18.3147
52 O1a O 14.6521 -18.3147
53 C1y C 18.2917 -16.2149
54 O1a O 13.5789 -16.4015
55 C1y C 18.2917 -17.6148
56 O2a O 17.0785 -19.7146
57 O1a O 19.5050 -18.3147
58 C1y C 15.9119 -21.7677
59 C1y C 14.7454 -22.4676
60 C1y C 15.9119 -20.4145
61 N1b N 16.9385 -22.7943
62 C1y C 13.5789 -21.7677
63 O2a O 14.7454 -23.7742
64 O2x O 14.7454 -19.7146
65 C5a C 18.2917 -23.5408
66 C1y C 13.5789 -20.4145
67 O1a O 12.4123 -22.4676
68 C1a C 19.5983 -22.8409
69 O5a O 18.2917 -25.1740
70 C1b C 12.4123 -19.7146
71 O1a O 11.3858 -20.6011
72 C1y C 13.5789 -25.8273
73 C1y C 12.4123 -26.5272
74 C1y C 13.5789 -24.4741
75 N1b N 14.6055 -26.8539
76 C1y C 11.2458 -25.8273
77 O1a O 12.4123 -27.8338
78 O2x O 12.4123 -23.7742
79 C5a C 15.9586 -27.6004
80 C1y C 11.2458 -24.4741
81 O1a O 10.0792 -26.5272
82 C1a C 17.2652 -26.9005
83 O5a O 15.9586 -29.2336
84 C1b C 10.0792 -23.7742
85 O1a O 9.0526 -24.6607
BOND 89
1 2 1 1 #Down
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 #Up
8 5 9 1
9 6 10 1
10 7 11 1 #Down
11 9 12 1 #Up
12 12 13 1
13 13 14 1
14 14 15 1
15 14 16 1 #Down
16 15 17 1
17 15 18 1 #Up
18 16 19 1
19 17 20 2
20 19 21 2
21 19 22 1
22 20 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 7 9 1
36 36 37 1
37 36 38 1
38 36 39 1 #Up
39 37 40 1
40 37 41 1 #Up
41 38 42 1
42 39 43 1
43 40 44 1
44 40 45 1 #Up
45 42 1 1 #Up
46 44 46 1 #Down
47 42 44 1
48 47 48 1
49 47 49 1
50 47 50 1 #Up
51 48 51 1
52 48 52 1 #Up
53 49 53 1
54 50 54 1
55 51 55 1
56 51 56 1 #Up
57 53 45 1 #Down
58 55 57 1 #Down
59 53 55 1
60 58 59 1
61 58 60 1
62 58 61 1 #Down
63 59 62 1
64 59 63 1 #Up
65 60 64 1
66 60 56 1 #Up
67 61 65 1
68 62 66 1
69 62 67 1 #Up
70 65 68 1
71 65 69 2
72 66 70 1 #Up
73 70 71 1
74 64 66 1
75 72 73 1
76 72 74 1
77 72 75 1 #Down
78 73 76 1
79 73 77 1 #Up
80 74 78 1
81 74 63 1 #Down
82 75 79 1
83 76 80 1
84 76 81 1 #Up
85 79 82 1
86 79 83 2
87 80 84 1 #Up
88 84 85 1
89 78 80 1
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