COMPOUND: C19772
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Entry
C19772 Compound
Name
alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol
Formula
C61H102O12P2
Exact mass
1088.6847
Mol weight
1089.4029
Structure
Mol file
KCF file
DB search
Reaction
R09641
Enzyme
2.7.8.31
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C19772 alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol
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Other DBs
PubChem:
135626239
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KCF data
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ATOM 75
1 C1b C 22.6100 -15.0500
2 C1b C 21.5600 -15.7500
3 C2c C 20.3000 -15.0500
4 C1a C 20.3000 -13.6500
5 C1b C 19.1100 -17.1500
6 C2b C 19.1100 -15.7500
7 O2b O 17.3600 -18.2000
8 C1a C 36.3300 -15.7500
9 C2c C 35.0700 -15.0500
10 C2b C 33.8100 -15.7500
11 C1a C 35.0700 -13.6500
12 C1b C 32.5500 -15.0500
13 C1b C 31.3600 -15.7500
14 C2c C 30.1000 -15.0500
15 C2b C 28.8400 -15.7500
16 C1a C 30.1000 -13.6500
17 C1b C 27.5800 -15.0500
18 C1b C 26.3900 -15.7500
19 C2c C 25.1300 -15.0500
20 C2b C 23.8700 -15.7500
21 C1a C 25.1300 -13.6500
22 P1b P 15.8900 -18.2000
23 O2c O 14.4200 -18.2000
24 O1c O 15.8900 -16.7300
25 O1c O 15.8900 -19.6700
26 P1b P 12.9500 -18.2000
27 O2b O 11.4800 -18.2000
28 O1c O 12.9500 -16.7300
29 O1c O 12.9500 -19.6700
30 C1y C 10.2676 -18.9000
31 O2x O 9.0721 -18.2096
32 C1y C 7.8596 -18.9095
33 C1y C 7.8594 -20.3095
34 C1y C 9.0549 -20.9999
35 C1y C 10.2674 -20.3000
36 C1b C 6.6471 -18.2095
37 O1a O 9.0549 -22.3999
38 O1a O 6.6470 -21.0095
39 O1a O 11.4798 -21.0000
40 O1a O 5.4347 -18.9095
41 C1b C 21.5600 -15.7500
42 C2c C 20.3000 -15.0500
43 C1a C 20.3000 -13.6500
44 C1b C 19.1100 -17.1500
45 C2b C 19.1100 -15.7500
46 C1b C 21.5600 -15.7500
47 C2c C 20.3000 -15.0500
48 C1a C 20.3000 -13.6500
49 C1b C 19.1100 -17.1500
50 C2b C 19.1100 -15.7500
51 C1b C 21.5600 -15.7500
52 C2c C 20.3000 -15.0500
53 C1a C 20.3000 -13.6500
54 C1b C 19.1100 -17.1500
55 C2b C 19.1100 -15.7500
56 C1b C 21.5600 -15.7500
57 C2c C 20.3000 -15.0500
58 C1a C 20.3000 -13.6500
59 C1b C 19.1100 -17.1500
60 C2b C 19.1100 -15.7500
61 C1b C 21.5600 -15.7500
62 C2c C 20.3000 -15.0500
63 C1a C 20.3000 -13.6500
64 C1b C 19.1100 -17.1500
65 C2b C 19.1100 -15.7500
66 C1b C 21.5600 -15.7500
67 C2c C 20.3000 -15.0500
68 C1a C 20.3000 -13.6500
69 C1b C 19.1100 -17.1500
70 C2b C 19.1100 -15.7500
71 C1b C 21.5600 -15.7500
72 C2c C 20.3000 -15.0500
73 C1a C 20.3000 -13.6500
74 C1b C 19.1100 -17.1500
75 C2b C 19.1100 -15.7500
BOND 75
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 1 2 1
36 3 4 1
37 3 2 1
38 5 6 1
39 6 3 2
40 5 41 1
41 42 43 1
42 42 41 1
43 44 45 1
44 45 42 2
45 44 46 1
46 47 48 1
47 47 46 1
48 49 50 1
49 50 47 2
50 49 51 1
51 52 53 1
52 52 51 1
53 54 55 1
54 55 52 2
55 54 56 1
56 57 58 1
57 57 56 1
58 59 60 1
59 60 57 2
60 59 61 1
61 62 63 1
62 62 61 1
63 64 65 1
64 65 62 2
65 64 66 1
66 67 68 1
67 67 66 1
68 69 70 1
69 70 67 2
70 69 71 1
71 72 73 1
72 72 71 1
73 74 75 1
74 75 72 2
75 74 7 1
BRACKET 1 18.8300 -18.2700 18.8300 -13.0200
1 21.7700 -13.0200 21.7700 -18.2700
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56
1 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72
1 73 74 75
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