COMPOUND: C20618
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Entry
C20618 Compound
Name
beta-D-Gal-(1->4)-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
R10433
Enzyme
2.4.1.304
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20618 beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
BRITE hierarchy
Other DBs
PubChem:
172232342
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KCF data
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ATOM 89
1 C1b C 23.8700 -11.9000
2 C1b C 22.8200 -12.6000
3 C2c C 21.5600 -11.9000
4 C1a C 21.5600 -10.5000
5 C1b C 20.3700 -14.0000
6 C2b C 20.3700 -12.6000
7 O2b O 18.6200 -15.0500
8 C1a C 37.5900 -12.6000
9 C2c C 36.3300 -11.9000
10 C2b C 35.0700 -12.6000
11 C1a C 36.3300 -10.5000
12 C1b C 33.8100 -11.9000
13 C1b C 32.6200 -12.6000
14 C2c C 31.3600 -11.9000
15 C2b C 30.1000 -12.6000
16 C1a C 31.3600 -10.5000
17 C1b C 28.8400 -11.9000
18 C1b C 27.6500 -12.6000
19 C2c C 26.3900 -11.9000
20 C2b C 25.1300 -12.6000
21 C1a C 26.3900 -10.5000
22 P1b P 17.1500 -15.0500
23 O2c O 15.6800 -15.0500
24 O1c O 17.1500 -13.5800
25 O1c O 17.1500 -16.5200
26 P1b P 14.2100 -15.0500
27 O2b O 12.7400 -15.0500
28 O1c O 14.2100 -13.5800
29 O1c O 14.2100 -16.5200
30 C1y C 11.5500 -15.7500
31 O2x O 10.3600 -15.0500
32 C1y C 9.1000 -15.7500
33 C1y C 9.1000 -17.1500
34 C1y C 10.2900 -17.8500
35 C1y C 11.5500 -17.1500
36 C1b C 7.9100 -15.0500
37 O1a O 10.2900 -19.2500
38 O2a O 7.9100 -17.8500
39 N1b N 12.7400 -17.8500
40 O1a O 6.7200 -15.7500
41 C5a C 12.7400 -19.2500
42 O5a O 11.5500 -19.9500
43 C1a C 13.9300 -19.9500
44 C1y C 6.5800 -18.5500
45 O2x O 5.3900 -17.8500
46 C1y C 4.1300 -18.5500
47 C1y C 4.1300 -19.9500
48 C1y C 5.3200 -20.6500
49 C1y C 6.5800 -19.9500
50 C1b C 2.9400 -17.8500
51 O1a O 2.9400 -20.6500
52 O1a O 5.3200 -22.0500
53 O1a O 7.7700 -20.6500
54 O1a O 1.7500 -18.5500
55 C1b C 22.8200 -12.6000
56 C2c C 21.5600 -11.9000
57 C1a C 21.5600 -10.5000
58 C1b C 20.3700 -14.0000
59 C2b C 20.3700 -12.6000
60 C1b C 22.8200 -12.6000
61 C2c C 21.5600 -11.9000
62 C1a C 21.5600 -10.5000
63 C1b C 20.3700 -14.0000
64 C2b C 20.3700 -12.6000
65 C1b C 22.8200 -12.6000
66 C2c C 21.5600 -11.9000
67 C1a C 21.5600 -10.5000
68 C1b C 20.3700 -14.0000
69 C2b C 20.3700 -12.6000
70 C1b C 22.8200 -12.6000
71 C2c C 21.5600 -11.9000
72 C1a C 21.5600 -10.5000
73 C1b C 20.3700 -14.0000
74 C2b C 20.3700 -12.6000
75 C1b C 22.8200 -12.6000
76 C2c C 21.5600 -11.9000
77 C1a C 21.5600 -10.5000
78 C1b C 20.3700 -14.0000
79 C2b C 20.3700 -12.6000
80 C1b C 22.8200 -12.6000
81 C2c C 21.5600 -11.9000
82 C1a C 21.5600 -10.5000
83 C1b C 20.3700 -14.0000
84 C2b C 20.3700 -12.6000
85 C1b C 22.8200 -12.6000
86 C2c C 21.5600 -11.9000
87 C1a C 21.5600 -10.5000
88 C1b C 20.3700 -14.0000
89 C2b C 20.3700 -12.6000
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 45 1
39 45 46 1
40 46 47 1
41 47 48 1
42 48 49 1
43 44 49 1
44 46 50 1 #Up
45 47 51 1 #Up
46 48 52 1 #Up
47 49 53 1 #Down
48 50 54 1
49 44 38 1 #Up
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 20.0900 -15.5400 20.0900 -10.2900
1 23.0300 -10.2900 23.0300 -15.5400
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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