Entry |
|
Name |
D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
GM1;
GM1a;
D-Galactosyl-1,3-beta-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-N-acylsphingosine;
Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
|
Formula |
C56H96N3O31R
|
Structure |
|
Remark |
|
Comment |
Generic compound in reaction hierarchy
|
Reaction |
|
Pathway |
map00604 | Glycosphingolipid biosynthesis - ganglio series |
|
Network |
|
Enzyme |
|
Brite |
Compounds with biological roles [BR:br08001]
Lipids
Glycolipids
Glycosphingolipids
C04911 GM1
Lipids [BR:br08002]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00110 Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GM1a)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 91
1 C1z C 15.6187 -19.4461
2 O2a O 13.1572 -17.0310
3 O2x O 15.6187 -20.8395
4 C1x C 16.7798 -18.7495
5 C6a C 14.4112 -19.7713
6 C1y C 13.1572 -15.7770
7 C1y C 16.8264 -21.4896
8 C1y C 17.9874 -19.4461
9 C1y C 11.9960 -15.0803
10 C1y C 14.3646 -15.0803
11 C1y C 17.9874 -20.7930
12 C1c C 16.8264 -22.8829
13 O1a O 19.1486 -18.7495
14 C1y C 11.9960 -13.6869
15 O2a O 10.7886 -15.7306
16 C1y C 14.3646 -13.6869
17 O1a O 15.5259 -15.7770
18 N1b N 19.1486 -21.4896
19 C1c C 15.6651 -23.5333
20 O1a O 18.0338 -23.5333
21 O2x O 13.1572 -13.0368
22 C1b C 10.7886 -13.0368
23 C1y C 9.5810 -16.4736
24 O2a O 15.5259 -13.0368
25 C5a C 20.3561 -20.7930
26 O1a O 14.5040 -22.8829
27 C1b C 15.6651 -24.8801
28 C1y C 9.5810 -17.8669
29 O2x O 8.3734 -15.7770
30 C1y C 16.6870 -12.3401
31 O5a O 20.3561 -19.3996
32 C1a C 21.5172 -21.4433
33 O1a O 14.5040 -25.5768
34 C1y C 8.3734 -18.5636
35 N1b N 10.7886 -18.5636
36 C1y C 7.1658 -16.4736
37 C1y C 16.6870 -10.9932
38 C1y C 17.8946 -13.0368
39 C1y C 7.1658 -17.8669
40 O2a O 8.3734 -19.9106
41 C5a C 10.7886 -19.9570
42 C1b C 5.9583 -15.8234
43 O2x O 17.8946 -10.2965
44 C1b C 15.5259 -10.2965
45 C1y C 19.0557 -12.3401
46 O1a O 17.8481 -14.3836
47 O1a O 5.9583 -18.5636
48 C1a C 11.9960 -20.6537
49 O5a O 9.5810 -20.6537
50 C1y C 19.0557 -10.9932
51 O1a O 20.2632 -13.0368
52 O2a O 20.2632 -10.2965
53 C1b C 21.4708 -10.9932
54 C1c C 22.6319 -10.2500
55 C1c C 23.8394 -10.9467
56 N1b N 22.6319 -8.9032
57 C2b C 25.0471 -10.2500
58 O1a O 23.8859 -12.3865
59 C5a C 23.7930 -8.1601
60 C2b C 26.2545 -10.9467
61 O5a O 23.7930 -6.8132
62 R R 25.0005 -8.8568
63 C1b C 27.4621 -10.2035
64 C1b C 28.6697 -10.9002
65 C1b C 29.8772 -10.2035
66 C1b C 31.0849 -10.8539
67 C1b C 32.2925 -10.1573
68 C1b C 33.5000 -10.8539
69 C1b C 34.7075 -10.1573
70 C1b C 35.9151 -10.8073
71 C1b C 37.1227 -10.1107
72 C1b C 38.3302 -10.8073
73 C1b C 39.5378 -10.1107
74 C1b C 40.7453 -10.7610
75 C1a C 41.9528 -10.0643
76 O6a O 13.4359 -18.7959
77 O6a O 14.0397 -21.1181
78 O1a O 14.3076 -10.9727
79 O1a O 9.6031 -13.7688
80 O1a O 4.7727 -16.5555
81 C1y C 7.1570 -20.6128
82 O2x O 5.9529 -19.9176
83 C1y C 4.7406 -20.6175
84 C1y C 4.7406 -22.0173
85 C1y C 5.9447 -22.7125
86 C1y C 7.1570 -22.0126
87 C1b C 3.5270 -19.9169
88 O1a O 3.5222 -22.7208
89 O1a O 5.9447 -24.1225
90 O1a O 8.3774 -22.7172
91 O1a O 2.3086 -20.6203
BOND 95
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 6 2 1 #Up
6 3 7 1
7 4 8 1
8 6 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 8 13 1 #Down
13 9 14 1
14 9 15 1 #Up
15 10 16 1
16 10 17 1 #Down
17 11 18 1 #Up
18 12 19 1
19 12 20 1 #Down
20 14 21 1
21 14 22 1 #Up
22 23 15 1 #Up
23 16 24 1 #Up
24 18 25 1
25 19 26 1 #Up
26 19 27 1
27 23 28 1
28 23 29 1
29 30 24 1 #Down
30 25 31 2
31 25 32 1
32 27 33 1
33 28 34 1
34 28 35 1 #Down
35 29 36 1
36 30 37 1
37 30 38 1
38 34 39 1
39 34 40 1 #Up
40 35 41 1
41 36 42 1 #Up
42 37 43 1
43 37 44 1 #Up
44 38 45 1
45 38 46 1 #Up
46 39 47 1 #Up
47 41 48 1
48 41 49 2
49 43 50 1
50 45 51 1 #Down
51 50 52 1 #Up
52 8 11 1
53 16 21 1
54 36 39 1
55 45 50 1
56 52 53 1
57 53 54 1
58 54 55 1
59 54 56 1 #Down
60 55 57 1
61 55 58 1 #Up
62 56 59 1
63 57 60 2
64 59 61 2
65 59 62 1
66 60 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 69 70 1
74 70 71 1
75 71 72 1
76 72 73 1
77 73 74 1
78 74 75 1
79 5 76 1
80 5 77 2
81 44 78 1
82 22 79 1
83 42 80 1
84 81 40 1 #Up
85 81 82 1
86 82 83 1
87 83 84 1
88 84 85 1
89 85 86 1
90 81 86 1
91 83 87 1 #Up
92 84 88 1 #Up
93 85 89 1 #Up
94 86 90 1 #Down
95 87 91 1
|