COMPOUND: C04939
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Entry
C04939 Compound
Name
N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
Formula
C53H92N3O28R
Structure
Mol file
KCF file
DB search
Remark
Same as:
G00174
Comment
Generic compound in reaction hierarchy
Reaction
R04654
Enzyme
2.4.1.150
Brite
Lipids [BR:
br08002
]
SP Sphingolipids
SP05 Neutral glycosphingolipids
SP0505 Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series)
G00174 GlcNAc-beta1->6Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
BRITE hierarchy
Other DBs
PubChem:
7481
ChEBI:
16506
LinkDB
All DBs
KCF data
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ATOM 85
1 C1y C 26.3777 -19.7382
2 C1y C 26.3777 -21.1325
3 O2a O 27.5716 -19.0455
4 O2x O 25.1656 -19.0455
5 C1y C 25.1656 -21.8435
6 N1b N 27.6902 -22.3813
7 C1y C 27.5808 -17.6600
8 C1y C 23.9624 -19.7382
9 C1y C 23.9624 -21.1325
10 O1a O 25.1563 -23.2287
11 C5a C 27.6992 -23.7666
12 C1y C 28.7929 -16.9493
13 C1y C 26.3777 -16.9493
14 C1b C 22.7593 -19.0455
15 O2a O 22.7593 -21.8252
16 C1a C 26.4961 -24.4593
17 O5a O 28.9023 -24.4501
18 C1y C 28.7929 -15.5455
19 O1a O 29.9961 -17.6418
20 C1y C 26.3777 -15.5455
21 O1a O 25.1745 -17.6328
22 C1y C 21.5564 -22.5180
23 O2a O 29.9961 -14.8530
24 O2x O 27.5808 -14.8530
25 C1b C 25.1745 -14.8530
26 O2x O 20.3440 -21.8252
27 C1y C 21.5564 -23.9215
28 C1y C 31.1989 -14.1603
29 C1y C 19.1412 -22.5180
30 C1y C 20.3440 -24.6325
31 O1a O 22.7593 -24.6142
32 C1y C 31.1989 -12.7568
33 C1y C 32.4021 -14.8713
34 C1b C 17.9380 -21.8252
35 C1y C 19.1412 -23.9215
36 O1a O 20.3350 -26.0177
37 O2x O 32.4021 -12.0640
38 C1b C 29.9961 -12.0640
39 C1y C 33.6142 -14.1603
40 O1a O 32.3931 -16.2565
41 O2a O 16.7896 -22.5909
42 O1a O 17.9380 -24.6142
43 C1y C 33.6142 -12.7568
44 O1a O 34.8173 -14.8530
45 C1y C 15.5865 -23.2834
46 O2a O 34.8083 -12.0551
47 C1y C 15.5865 -24.6872
48 O2x O 14.3744 -22.5909
49 C1b C 36.0112 -11.3623
50 C1y C 14.3744 -25.3979
51 N1b N 16.9080 -25.9265
52 C1y C 13.1715 -23.2834
53 C1c C 37.2143 -12.0551
54 C1y C 13.1715 -24.6872
55 O1a O 14.3744 -26.7834
56 C5a C 16.9080 -27.3210
57 C1b C 11.9773 -22.5909
58 C1c C 38.4175 -11.3623
59 N1b N 37.2143 -13.4493
60 O1a O 11.9684 -25.3707
61 C1a C 15.7052 -28.0045
62 O5a O 18.1112 -28.0045
63 C2b C 39.6206 -12.0551
64 O1a O 38.4175 -9.9768
65 C2b C 40.8235 -11.3623
66 C1b C 42.0176 -12.0551
67 C1b C 43.2205 -11.3623
68 C1b C 44.4144 -12.0640
69 C1b C 44.3964 -13.4493
70 C1b C 43.1933 -14.1238
71 C1b C 43.1750 -15.5093
72 C1b C 41.9629 -16.1836
73 C1b C 41.9536 -17.5781
74 C1b C 40.7415 -18.2526
75 C1b C 40.7233 -19.6378
76 C1b C 39.5202 -20.3123
77 C1b C 39.5719 -21.6976
78 C1a C 38.2898 -22.3813
79 O1a O 10.7498 -23.2964
80 O1a O 21.5431 -19.7496
81 O1a O 23.9878 -15.5404
82 O1a O 28.8202 -12.7445
83 C5a C 38.4524 -14.1400
84 R R 39.6649 -13.4400
85 O5a O 38.4627 -15.5396
BOND 89
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Up
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1 #Up
14 9 15 1 #Down
15 11 16 1
16 11 17 2
17 12 18 1
18 12 19 1 #Down
19 13 20 1
20 13 21 1 #Up
21 22 15 1 #Up
22 18 23 1 #Up
23 18 24 1
24 20 25 1 #Up
25 22 26 1
26 22 27 1
27 28 23 1 #Down
28 26 29 1
29 27 30 1
30 27 31 1 #Down
31 28 32 1
32 28 33 1
33 29 34 1 #Up
34 29 35 1
35 30 36 1 #Up
36 32 37 1
37 32 38 1 #Up
38 33 39 1
39 33 40 1 #Up
40 34 41 1
41 35 42 1 #Up
42 37 43 1
43 39 44 1 #Down
44 45 41 1 #Up
45 43 46 1 #Up
46 45 47 1
47 45 48 1
48 46 49 1
49 47 50 1
50 47 51 1 #Down
51 48 52 1
52 49 53 1
53 50 54 1
54 50 55 1 #Up
55 51 56 1
56 52 57 1 #Up
57 53 58 1
58 53 59 1
59 54 60 1 #Down
60 56 61 1
61 56 62 2
62 58 63 1
63 58 64 1
64 63 65 2
65 65 66 1
66 66 67 1
67 67 68 1
68 68 69 1
69 69 70 1
70 70 71 1
71 71 72 1
72 72 73 1
73 73 74 1
74 74 75 1
75 75 76 1
76 76 77 1
77 77 78 1
78 8 9 1
79 20 24 1
80 30 35 1
81 39 43 1
82 52 54 1
83 57 79 1
84 14 80 1
85 25 81 1
86 38 82 1
87 59 83 1
88 83 84 1
89 83 85 2
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