COMPOUND: C20617
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Entry
C20617 Compound
Name
beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
Formula
C69H115NO17P2
Exact mass
1291.764
Mol weight
1292.5954
Structure
Mol file
KCF file
DB search
Reaction
R10432
Enzyme
2.4.1.303
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20617 beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
BRITE hierarchy
Other DBs
PubChem:
172232341
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KCF data
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ATOM 89
1 C1b C 28.5600 -11.5500
2 C1b C 27.5100 -12.2500
3 C2c C 26.2500 -11.5500
4 C1a C 26.2500 -10.1500
5 C1b C 25.0600 -13.6500
6 C2b C 25.0600 -12.2500
7 O2b O 23.3100 -14.7000
8 C1a C 42.2800 -12.2500
9 C2c C 41.0200 -11.5500
10 C2b C 39.7600 -12.2500
11 C1a C 41.0200 -10.1500
12 C1b C 38.5000 -11.5500
13 C1b C 37.3100 -12.2500
14 C2c C 36.0500 -11.5500
15 C2b C 34.7900 -12.2500
16 C1a C 36.0500 -10.1500
17 C1b C 33.5300 -11.5500
18 C1b C 32.3400 -12.2500
19 C2c C 31.0800 -11.5500
20 C2b C 29.8200 -12.2500
21 C1a C 31.0800 -10.1500
22 P1b P 21.8400 -14.7000
23 O2c O 20.3700 -14.7000
24 O1c O 21.8400 -13.2300
25 O1c O 21.8400 -16.1700
26 P1b P 18.9000 -14.7000
27 O2b O 17.4300 -14.7000
28 O1c O 18.9000 -13.2300
29 O1c O 18.9000 -16.1700
30 C1y C 16.2400 -15.4000
31 O2x O 15.0500 -14.7000
32 C1y C 13.7900 -15.4000
33 C1y C 13.7900 -16.8000
34 C1y C 14.9800 -17.5000
35 C1y C 16.2400 -16.8000
36 C1b C 12.6000 -14.7000
37 O2a O 14.9800 -18.9000
38 O1a O 12.6000 -17.5000
39 N1b N 17.4300 -17.5000
40 O1a O 11.4100 -15.4000
41 C5a C 17.4300 -18.9000
42 O5a O 16.2400 -19.6000
43 C1a C 18.6200 -19.6000
44 C1y C 13.7676 -19.6000
45 O2x O 12.5721 -18.9096
46 C1y C 11.3596 -19.6095
47 C1y C 11.3594 -21.0095
48 C1y C 12.5549 -21.6999
49 C1y C 13.7674 -21.0000
50 C1b C 10.1284 -18.8985
51 O1a O 10.1366 -21.7154
52 O1a O 12.5547 -23.0998
53 O1a O 14.9966 -21.7100
54 O1a O 8.9315 -19.5895
55 C1b C 27.5100 -12.2500
56 C2c C 26.2500 -11.5500
57 C1a C 26.2500 -10.1500
58 C1b C 25.0600 -13.6500
59 C2b C 25.0600 -12.2500
60 C1b C 27.5100 -12.2500
61 C2c C 26.2500 -11.5500
62 C1a C 26.2500 -10.1500
63 C1b C 25.0600 -13.6500
64 C2b C 25.0600 -12.2500
65 C1b C 27.5100 -12.2500
66 C2c C 26.2500 -11.5500
67 C1a C 26.2500 -10.1500
68 C1b C 25.0600 -13.6500
69 C2b C 25.0600 -12.2500
70 C1b C 27.5100 -12.2500
71 C2c C 26.2500 -11.5500
72 C1a C 26.2500 -10.1500
73 C1b C 25.0600 -13.6500
74 C2b C 25.0600 -12.2500
75 C1b C 27.5100 -12.2500
76 C2c C 26.2500 -11.5500
77 C1a C 26.2500 -10.1500
78 C1b C 25.0600 -13.6500
79 C2b C 25.0600 -12.2500
80 C1b C 27.5100 -12.2500
81 C2c C 26.2500 -11.5500
82 C1a C 26.2500 -10.1500
83 C1b C 25.0600 -13.6500
84 C2b C 25.0600 -12.2500
85 C1b C 27.5100 -12.2500
86 C2c C 26.2500 -11.5500
87 C1a C 26.2500 -10.1500
88 C1b C 25.0600 -13.6500
89 C2b C 25.0600 -12.2500
BOND 90
1 12 13 1
2 13 14 1
3 14 15 2
4 14 16 1
5 15 17 1
6 10 12 1
7 8 9 1
8 9 10 2
9 17 18 1
10 18 19 1
11 19 20 2
12 19 21 1
13 20 1 1
14 9 11 1
15 7 22 1
16 22 23 1
17 22 24 1
18 22 25 2
19 23 26 1
20 26 27 1
21 26 28 1
22 26 29 2
23 30 27 1 #Down
24 30 31 1
25 31 32 1
26 32 33 1
27 33 34 1
28 34 35 1
29 30 35 1
30 32 36 1 #Up
31 34 37 1 #Up
32 33 38 1 #Down
33 35 39 1 #Down
34 36 40 1
35 39 41 1
36 41 42 2
37 41 43 1
38 44 37 1 #Up
39 44 45 1
40 45 46 1
41 46 47 1
42 47 48 1
43 48 49 1
44 44 49 1
45 46 50 1 #Up
46 47 51 1 #Up
47 48 52 1 #Up
48 49 53 1 #Down
49 50 54 1
50 1 2 1
51 3 4 1
52 3 2 1
53 5 6 1
54 6 3 2
55 5 55 1
56 56 57 1
57 56 55 1
58 58 59 1
59 59 56 2
60 58 60 1
61 61 62 1
62 61 60 1
63 63 64 1
64 64 61 2
65 63 65 1
66 66 67 1
67 66 65 1
68 68 69 1
69 69 66 2
70 68 70 1
71 71 72 1
72 71 70 1
73 73 74 1
74 74 71 2
75 73 75 1
76 76 77 1
77 76 75 1
78 78 79 1
79 79 76 2
80 78 80 1
81 81 82 1
82 81 80 1
83 83 84 1
84 84 81 2
85 83 85 1
86 86 87 1
87 86 85 1
88 88 89 1
89 89 86 2
90 88 7 1
BRACKET 1 24.7800 -15.0500 24.7800 -9.8000
1 27.7200 -9.8000 27.7200 -15.0500
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70
1 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86
1 87 88 89
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