| Entry |
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| Name |
Ar5Cer;
GalNAc-alpha1->4GalNAc-beta1->4GlcNAc-beta1->3Man-beta1->4Glc-beta1->1'Cer
|
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| Formula |
C55H95N4O28R
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| Structure |
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| Remark |
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| Brite |
Lipids [BR:br08002]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0508 GlcNAcbeta1-3Manbeta1-4Glc- (Arthro series)
G00849 GalNAc-alpha1->4GalNAc-beta1->4GlcNAc-beta1->3Man-beta1->4Glc-beta1->1'Cer (Ar5Cer)
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| Other DBs |
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| KCF data |
ATOM 88
1 C1y C 28.0904 -10.4053
2 O2x O 26.8772 -9.7054
3 O2a O 29.5369 -9.7520
4 C1y C 28.0904 -11.8518
5 C1y C 25.6640 -10.4053
6 C1b C 30.8435 -10.6853
7 C1y C 26.8772 -12.5517
8 O1a O 29.3502 -12.5517
9 C1y C 25.6640 -11.8518
10 C1b C 24.4042 -9.7054
11 C1c C 32.0099 -9.9854
12 O1a O 26.8772 -13.9982
13 O2a O 24.4042 -12.5517
14 O1a O 23.3309 -10.6386
15 C1c C 33.2232 -10.6853
16 N1b N 32.0099 -8.6321
17 C2b C 34.3897 -9.9854
18 O1a O 33.2232 -12.0385
19 C5a C 33.1765 -7.9322
20 C2b C 35.5563 -10.6853
21 O5a O 33.1765 -6.5790
22 R R 34.3897 -8.6321
23 C1b C 36.7694 -9.9854
24 C1b C 37.9360 -10.6853
25 C1b C 39.1492 -9.9854
26 C1b C 40.3157 -10.6853
27 C1b C 41.5289 -9.9854
28 C1b C 42.6955 -10.6853
29 C1b C 43.9086 -9.9854
30 C1b C 45.0752 -10.6853
31 C1b C 46.2418 -9.9854
32 C1b C 47.4083 -10.6853
33 C1b C 48.5748 -9.9854
34 C1b C 49.7880 -10.6853
35 C1a C 50.9546 -9.9854
36 C1y C 20.7645 -13.2516
37 C1y C 20.7645 -14.6515
38 O2x O 21.9777 -12.5517
39 C1b C 19.5980 -12.5517
40 C1y C 21.9777 -15.3514
41 O1a O 19.5980 -15.3514
42 C1y C 23.1909 -13.2516
43 O1a O 18.5248 -13.4383
44 C1y C 23.1909 -14.6515
45 O2a O 21.9777 -16.7512
46 O1a O 24.4042 -15.3514
47 C1y C 20.8111 -18.8044
48 C1y C 19.6447 -19.5044
49 C1y C 20.8111 -17.4512
50 N1b N 21.8377 -19.8309
51 C1y C 18.4781 -18.8044
52 O1a O 19.6447 -20.8108
53 O2x O 19.6447 -16.7512
54 C5a C 23.1909 -20.5775
55 C1y C 18.4781 -17.4512
56 O2a O 17.3115 -19.5044
57 C1a C 24.4974 -19.8776
58 O5a O 23.1909 -22.2107
59 C1b C 17.3115 -16.7512
60 O1a O 16.2850 -17.6379
61 C1y C 16.1450 -21.5574
62 C1y C 14.9785 -22.2574
63 C1y C 16.1450 -20.2043
64 N1b N 17.1715 -22.5840
65 C1y C 13.8119 -21.5574
66 O1a O 14.9785 -23.5639
67 O2x O 14.9785 -19.5044
68 C5a C 18.5248 -23.3305
69 C1y C 13.8119 -20.2043
70 O2a O 12.6454 -22.2574
71 C1a C 19.8312 -22.6306
72 O5a O 18.5248 -24.9638
73 C1b C 12.6454 -19.5044
74 O1a O 11.6188 -20.3909
75 C1y C 11.4789 -24.3104
76 C1y C 10.3123 -25.0104
77 C1y C 11.4789 -22.9573
78 N1b N 12.5054 -25.3370
79 C1y C 9.1458 -24.3104
80 O1a O 10.3123 -26.3169
81 O2x O 10.3123 -22.2574
82 C5a C 13.8586 -26.0836
83 C1y C 9.1458 -22.9573
84 O1a O 7.9792 -25.0104
85 C1a C 15.1652 -25.3837
86 O5a O 13.8586 -27.7168
87 C1b C 7.9792 -22.2574
88 O1a O 6.9526 -23.1440
BOND 92
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 9 13 1 #Down
13 10 14 1
14 11 15 1
15 11 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 #Down
41 38 42 1
42 39 43 1
43 40 44 1
44 40 45 1 #Up
45 42 13 1 #Up
46 44 46 1 #Up
47 42 44 1
48 47 48 1
49 47 49 1
50 47 50 1 #Down
51 48 51 1
52 48 52 1 #Up
53 49 53 1
54 49 45 1 #Up
55 50 54 1
56 51 55 1
57 51 56 1 #Down
58 54 57 1
59 54 58 2
60 55 59 1 #Up
61 59 60 1
62 53 55 1
63 61 62 1
64 61 63 1
65 61 64 1 #Down
66 62 65 1
67 62 66 1 #Up
68 63 67 1
69 63 56 1 #Up
70 64 68 1
71 65 69 1
72 65 70 1 #Up
73 68 71 1
74 68 72 2
75 69 73 1 #Up
76 73 74 1
77 67 69 1
78 75 76 1
79 75 77 1
80 75 78 1 #Down
81 76 79 1
82 76 80 1 #Up
83 77 81 1
84 77 70 1 #Down
85 78 82 1
86 79 83 1
87 79 84 1 #Up
88 82 85 1
89 82 86 2
90 83 87 1 #Up
91 87 88 1
92 81 83 1
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