COMPOUND: C04819
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Entry
C04819 Compound
Name
beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide
Formula
C42H74N8O22
Exact mass
1042.4918
Mol weight
1043.0774
Structure
Mol file
KCF file
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Other DBs
PubChem:
7381
ChEBI:
10393
NIKKAJI:
J2.754.675G
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KCF data
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ATOM 72
1 C1y C -1.5310 0.8103
2 C1y C -0.8931 0.8069
3 O2a O -1.8586 0.0586
4 C1y C -1.8552 1.3621
5 C1y C -0.5759 1.3655
6 O2a O -0.4103 -0.0034
7 C1y C -2.4069 -0.2586
8 O2x O -1.5414 1.9138
9 C1b C -2.4897 1.3621
10 C1y C -0.8966 1.9207
11 N1b N 0.3034 1.5828
12 C1c C 0.2276 0.0034
13 C1y C -2.4069 -0.9034
14 O2x O -2.9655 0.0586
15 O1a O -2.8069 0.8103
16 O1a O -0.7138 2.5276
17 C1b C 0.6862 2.3483
18 C5a C 0.5517 -0.5414
19 C1a C 0.5345 0.5586
20 C1y C -2.9655 -1.2276
21 N1b N -1.6138 -1.2207
22 C1y C -3.5138 -0.2586
23 C1a C 0.4621 2.9000
24 N1b N 1.4724 -0.4483
25 O5a O 0.2414 -1.0966
26 C1y C -3.5138 -0.9034
27 O1a O -2.9655 -1.8621
28 C5a C -1.6103 -1.8586
29 C1b C -4.0655 0.0586
30 C1c C 1.9276 -1.0828
31 O2a O -4.0655 -1.2172
32 C1a C -2.1621 -2.1759
33 O5a O -1.0586 -2.1724
34 O1a O -4.6138 -0.2586
35 C5a C 2.5655 -1.0759
36 C1a C 1.6172 -1.6379
37 C1y C -4.6172 -1.5379
38 N1b N 3.1241 -0.5448
39 O5a O 2.8897 -1.6207
40 O2x O -5.1724 -1.2207
41 C1y C -4.6172 -2.1793
42 C1c C 4.0207 -0.5379
43 C1y C -5.7241 -1.5379
44 C1y C -5.1724 -2.5035
45 O1a O -4.0655 -2.4966
46 C1b C 4.3310 0.0172
47 C5a C 4.3448 -1.0828
48 C1y C -5.7241 -2.1793
49 C1b C -6.2759 -1.2207
50 O1a O -5.1759 -3.1414
51 C1b C 5.0552 0.0103
52 N1a N 4.9828 -1.0724
53 O5a O 4.0379 -1.6379
54 O1a O -6.2759 -2.4931
55 O1a O -6.2759 -0.5828
56 C5a C 5.4517 0.5138
57 N1b N 5.4552 1.1483
58 O5a O 6.0000 0.1931
59 C1c C 4.8483 1.4621
60 C5a C 4.2966 1.1448
61 C1b C 4.8483 2.0966
62 N1b N 3.5862 1.4345
63 O5a O 4.2966 0.5103
64 C1b C 5.3965 2.4172
65 C1c C 2.8310 1.0655
66 C1b C 5.3965 3.0517
67 C6a C 2.2793 1.3862
68 C1a C 2.8310 0.4310
69 C1b C 4.8483 3.3690
70 O6a O 2.2793 2.0207
71 O6a O 1.7276 1.0655
72 N1a N 4.8483 3.9966
BOND 74
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 11 17 1
17 12 18 1
18 12 19 1
19 13 20 1
20 13 21 1 #Down
21 14 22 1
22 17 23 1
23 18 24 1
24 18 25 2
25 20 26 1
26 20 27 1 #Up
27 21 28 1
28 22 29 1 #Up
29 24 30 1
30 26 31 1 #Down
31 28 32 1
32 28 33 2
33 29 34 1
34 30 35 1
35 30 36 1 #Down
36 37 31 1 #Up
37 35 38 1
38 35 39 2
39 37 40 1
40 37 41 1
41 38 42 1
42 40 43 1
43 41 44 1
44 41 45 1 #Down
45 42 46 1
46 42 47 1 #Down
47 43 48 1
48 43 49 1 #Up
49 44 50 1 #Up
50 46 51 1
51 47 52 1
52 47 53 2
53 48 54 1 #Up
54 49 55 1
55 51 56 1
56 56 57 1
57 56 58 2
58 57 59 1
59 59 60 1
60 59 61 1 #Down
61 60 62 1
62 60 63 2
63 61 64 1
64 62 65 1
65 64 66 1
66 65 67 1
67 65 68 1 #Down
68 66 69 1
69 67 70 1
70 67 71 2
71 69 72 1
72 8 10 1
73 22 26 1
74 44 48 1
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