COMPOUND: C04924
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Entry
C04924 Compound
Name
N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide;
GalNAc-beta1->4Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer
Formula
C50H86N3O26R
Structure
Mol file
KCF file
DB search
Remark
Same as:
G00176
Comment
Generic compound in reaction hierarchy
Reaction
R04615
Enzyme
2.4.1.165
Brite
Lipids [BR:
br08002
]
SP Sphingolipids
SP06 Acidic glycosphingolipids
SP0601 Gangliosides
G00176 GalNAc-beta1->4Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer
BRITE hierarchy
Other DBs
PubChem:
7470
ChEBI:
16121
LinkDB
All DBs
KCF data
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ATOM 80
1 O2a O 16.8234 -19.1333
2 C1y C 16.8700 -17.7333
3 C1y C 18.0834 -17.0800
4 C1y C 15.6567 -17.0333
5 C1y C 18.0834 -15.7267
6 O1a O 19.0634 -17.5933
7 C1y C 15.6567 -15.6333
8 O1a O 14.4433 -17.7800
9 O2a O 19.2967 -15.0267
10 O2x O 16.9167 -14.9800
11 C1b C 14.4900 -14.9333
12 C1y C 20.5100 -14.3733
13 O1a O 13.3234 -15.6333
14 C1y C 20.5100 -12.9733
15 C1y C 21.6767 -15.1200
16 O2x O 21.6767 -12.3200
17 C1b C 19.2967 -12.2267
18 C1y C 22.8900 -14.4200
19 O1a O 21.6300 -16.4733
20 C1y C 22.8900 -13.0200
21 O1a O 18.1300 -12.9733
22 O1a O 24.1034 -15.1667
23 O2a O 24.1500 -12.3667
24 C1b C 25.3634 -13.0667
25 C1c C 26.5300 -12.3200
26 C1c C 27.7434 -13.0200
27 N1b N 26.5300 -10.9667
28 C2b C 28.9567 -12.3200
29 O1a O 27.7900 -14.4667
30 C5a C 27.6967 -10.2200
31 C2b C 30.1700 -13.0200
32 O5a O 27.6967 -8.8667
33 R R 28.9100 -10.9200
34 C1b C 31.3834 -12.2733
35 C1b C 32.5967 -12.9733
36 C1b C 33.8100 -12.2733
37 C1b C 35.0234 -12.9267
38 C1b C 36.2367 -12.2267
39 C1b C 37.4500 -12.9267
40 C1b C 38.6634 -12.2267
41 C1b C 39.8767 -12.8800
42 C1b C 41.0900 -12.1800
43 C1b C 42.3034 -12.8800
44 C1b C 43.5167 -12.1800
45 C1b C 44.7300 -12.8333
46 C1a C 45.9434 -12.1333
47 C1z C 15.1900 -20.0200
48 O2x O 14.0234 -19.3200
49 C1x C 15.1900 -21.4200
50 C6a C 16.4034 -20.6267
51 C1y C 12.8100 -20.0200
52 C1y C 14.0234 -22.1200
53 O6a O 17.5700 -19.9267
54 O6a O 16.4034 -22.0734
55 C1y C 12.8100 -21.4200
56 O2a O 14.0234 -23.4734
57 N1b N 11.5967 -22.1200
58 C5a C 11.5967 -23.5667
59 C1a C 10.3367 -24.2667
60 O5a O 12.8100 -24.2667
61 C1y C 12.8567 -26.9734
62 C1y C 14.0700 -27.6734
63 C1y C 15.2834 -26.9734
64 C1y C 15.2834 -25.5734
65 C1y C 14.0700 -24.8734
66 O2x O 12.8567 -25.5734
67 C1b C 11.6434 -27.7200
68 O1a O 14.0700 -29.0734
69 O1a O 16.4967 -27.6734
70 N1b N 16.4500 -24.8734
71 O1a O 11.6434 -29.1200
72 C5a C 17.7100 -25.5734
73 C1a C 18.8767 -24.8734
74 O5a O 17.7100 -26.7634
75 C1c C 11.5976 -19.3200
76 C1c C 10.3851 -20.0200
77 C1b C 9.1727 -19.3200
78 O1a O 7.9603 -20.0200
79 O1a O 11.5976 -17.9202
80 O1a O 10.3851 -21.2098
BOND 83
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 5 10 1
10 7 11 1 #Up
11 12 9 1 #Down
12 11 13 1
13 12 14 1
14 12 15 1
15 14 16 1
16 14 17 1 #Up
17 15 18 1
18 15 19 1 #Up
19 16 20 1
20 17 21 1
21 18 22 1 #Down
22 20 23 1 #Up
23 23 24 1
24 24 25 1
25 25 26 1
26 25 27 1 #Down
27 26 28 1
28 26 29 1 #Up
29 27 30 1
30 28 31 2
31 30 32 2
32 30 33 1
33 31 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 7 10 1
47 18 20 1
48 47 48 1
49 47 1 1 #Down
50 47 49 1
51 47 50 1 #Up
52 48 51 1
53 49 52 1
54 50 53 1
55 50 54 2
56 51 55 1
57 52 56 1 #Down
58 52 55 1
59 55 57 1 #Up
60 57 58 1
61 58 59 1
62 58 60 2
63 61 62 1
64 62 63 1
65 63 64 1
66 64 65 1
67 65 66 1
68 61 66 1
69 65 56 1 #Up
70 61 67 1 #Up
71 62 68 1 #Up
72 63 69 1 #Up
73 64 70 1 #Down
74 67 71 1
75 70 72 1
76 72 73 1
77 72 74 2
78 51 75 1
79 75 76 1
80 76 77 1
81 77 78 1
82 75 79 1 #Up
83 76 80 1 #Down
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