COMPOUND: C19856
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Entry
C19856 Compound
Name
D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
Formula
C67H112O17P2
Exact mass
1250.7375
Mol weight
1251.54
Structure
Mol file
KCF file
DB search
Reaction
R09733
Enzyme
2.4.1.252
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C19856 D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
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PubChem:
135626323
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KCF data
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ATOM 86
1 C1y C 12.2500 -21.9800
2 C1y C 12.2500 -23.3800
3 O2x O 13.4400 -21.2800
4 C1b C 10.9900 -21.2800
5 C1y C 13.4400 -24.0800
6 O1a O 10.9900 -24.0800
7 C1y C 14.7000 -21.9800
8 O1a O 9.9400 -22.1900
9 C1y C 14.7000 -23.3800
10 O1a O 13.4400 -25.4800
11 O1a O 15.8900 -24.0800
12 C1y C 16.6600 -18.7600
13 C1y C 16.6600 -20.1600
14 O2x O 17.8500 -18.0600
15 C1b C 15.4000 -18.0600
16 C1y C 17.8500 -20.8600
17 O2a O 15.4000 -20.8600
18 C1y C 19.1100 -18.7600
19 O1a O 14.3500 -18.9700
20 C1y C 19.1100 -20.1600
21 O1a O 17.8500 -22.2600
22 O1a O 20.3000 -20.8600
23 C1b C 31.1500 -14.6300
24 C1b C 30.1000 -15.3300
25 C2c C 28.8400 -14.6300
26 C1a C 28.8400 -13.2300
27 C1b C 27.6500 -16.7300
28 C2b C 27.6500 -15.3300
29 O2b O 25.9000 -17.7800
30 C1a C 44.8700 -15.3300
31 C2c C 43.6100 -14.6300
32 C2b C 42.3500 -15.3300
33 C1a C 43.6100 -13.2300
34 C1b C 41.0900 -14.6300
35 C1b C 39.9000 -15.3300
36 C2c C 38.6400 -14.6300
37 C2b C 37.3800 -15.3300
38 C1a C 38.6400 -13.2300
39 C1b C 36.1200 -14.6300
40 C1b C 34.9300 -15.3300
41 C2c C 33.6700 -14.6300
42 C2b C 32.4100 -15.3300
43 C1a C 33.6700 -13.2300
44 P1b P 24.4300 -17.7800
45 O2c O 22.9600 -17.7800
46 O1c O 24.4300 -16.3100
47 O1c O 24.4300 -19.2500
48 P1b P 21.4900 -17.7800
49 O2b O 20.0200 -17.7800
50 O1c O 21.4900 -16.3100
51 O1c O 21.4900 -19.2500
52 C1b C 30.1000 -15.3300
53 C2c C 28.8400 -14.6300
54 C1a C 28.8400 -13.2300
55 C1b C 27.6500 -16.7300
56 C2b C 27.6500 -15.3300
57 C1b C 30.1000 -15.3300
58 C2c C 28.8400 -14.6300
59 C1a C 28.8400 -13.2300
60 C1b C 27.6500 -16.7300
61 C2b C 27.6500 -15.3300
62 C1b C 30.1000 -15.3300
63 C2c C 28.8400 -14.6300
64 C1a C 28.8400 -13.2300
65 C1b C 27.6500 -16.7300
66 C2b C 27.6500 -15.3300
67 C1b C 30.1000 -15.3300
68 C2c C 28.8400 -14.6300
69 C1a C 28.8400 -13.2300
70 C1b C 27.6500 -16.7300
71 C2b C 27.6500 -15.3300
72 C1b C 30.1000 -15.3300
73 C2c C 28.8400 -14.6300
74 C1a C 28.8400 -13.2300
75 C1b C 27.6500 -16.7300
76 C2b C 27.6500 -15.3300
77 C1b C 30.1000 -15.3300
78 C2c C 28.8400 -14.6300
79 C1a C 28.8400 -13.2300
80 C1b C 27.6500 -16.7300
81 C2b C 27.6500 -15.3300
82 C1b C 30.1000 -15.3300
83 C2c C 28.8400 -14.6300
84 C1a C 28.8400 -13.2300
85 C1b C 27.6500 -16.7300
86 C2b C 27.6500 -15.3300
BOND 87
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1 #Down
11 7 9 1
12 12 13 1
13 12 14 1
14 12 15 1 #Up
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 15 19 1
19 16 20 1
20 16 21 1 #Up
21 20 22 1 #Down
22 18 20 1
23 34 35 1
24 35 36 1
25 36 37 2
26 36 38 1
27 37 39 1
28 32 34 1
29 30 31 1
30 31 32 2
31 39 40 1
32 40 41 1
33 41 42 2
34 41 43 1
35 42 23 1
36 31 33 1
37 29 44 1
38 44 45 1
39 44 46 1
40 44 47 2
41 45 48 1
42 48 49 1
43 48 50 1
44 48 51 2
45 18 49 1 #Down
46 7 17 1 #Up
47 23 24 1
48 25 26 1
49 25 24 1
50 27 28 1
51 28 25 2
52 27 52 1
53 53 54 1
54 53 52 1
55 55 56 1
56 56 53 2
57 55 57 1
58 58 59 1
59 58 57 1
60 60 61 1
61 61 58 2
62 60 62 1
63 63 64 1
64 63 62 1
65 65 66 1
66 66 63 2
67 65 67 1
68 68 69 1
69 68 67 1
70 70 71 1
71 71 68 2
72 70 72 1
73 73 74 1
74 73 72 1
75 75 76 1
76 76 73 2
77 75 77 1
78 78 79 1
79 78 77 1
80 80 81 1
81 81 78 2
82 80 82 1
83 83 84 1
84 83 82 1
85 85 86 1
86 86 83 2
87 85 29 1
BRACKET 1 27.3700 -17.8500 27.3700 -12.6000
1 30.3100 -12.6000 30.3100 -17.8500
1 8
ORIGINAL 1 24 25 26 27 28
REPEAT 1 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67
1 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83
1 84 85 86
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