COMPOUND: C19854
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Entry
C19854 Compound
Name
D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
Formula
C79H130O28P2
Exact mass
1588.8224
Mol weight
1589.80
Structure
Mol file
KCF file
DB search
Reaction
R09732
R09734
Enzyme
2.4.1.251
2.4.1.264
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C19854 D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
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Other DBs
PubChem:
135626321
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KCF data
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ATOM 109
1 C1y C 33.8100 -37.4500
2 C1y C 33.8100 -38.8500
3 O2x O 32.6200 -36.7500
4 C6a C 35.0000 -36.8200
5 C1y C 32.6200 -39.5500
6 O1a O 35.0000 -39.5500
7 C1y C 31.3600 -37.4500
8 O6a O 36.0500 -37.7300
9 O6a O 35.0000 -35.4200
10 C1y C 31.3600 -38.8500
11 O1a O 32.6200 -40.9500
12 O1a O 30.1700 -39.5500
13 C1y C 26.3200 -34.3700
14 C1y C 26.3200 -35.7700
15 O2x O 27.5100 -33.6700
16 C1b C 25.1300 -33.6700
17 C1y C 27.5100 -36.4700
18 O1a O 25.1300 -36.4700
19 C1y C 28.7700 -34.3700
20 O1a O 24.0100 -34.5800
21 C1y C 28.7700 -35.7700
22 O1a O 27.5100 -37.8700
23 O2a O 29.9600 -36.4700
24 C1y C 28.4900 -29.9600
25 C1y C 28.4900 -31.3600
26 O2x O 29.6800 -29.2600
27 C1b C 27.2300 -29.2600
28 C1y C 29.6800 -32.0600
29 O1a O 27.2300 -32.0600
30 C1y C 30.9400 -29.9600
31 O1a O 26.1800 -30.1700
32 C1y C 30.9400 -31.3600
33 O2a O 29.6800 -33.4600
34 O1a O 32.1300 -32.0600
35 C1y C 32.9000 -26.7400
36 C1y C 32.9000 -28.1400
37 O2x O 34.0900 -26.0400
38 C1b C 31.6400 -26.0400
39 C1y C 34.0900 -28.8400
40 O2a O 31.6400 -28.8400
41 C1y C 35.3500 -26.7400
42 O1a O 30.5900 -26.9500
43 C1y C 35.3500 -28.1400
44 O1a O 34.0900 -30.2400
45 O1a O 36.5400 -28.8400
46 C1b C 47.3900 -22.6100
47 C1b C 46.3400 -23.3100
48 C2c C 45.0800 -22.6100
49 C1a C 45.0800 -21.2100
50 C1b C 43.8900 -24.7100
51 C2b C 43.8900 -23.3100
52 O2b O 42.1400 -25.7600
53 C1a C 61.1100 -23.3100
54 C2c C 59.8500 -22.6100
55 C2b C 58.5900 -23.3100
56 C1a C 59.8500 -21.2100
57 C1b C 57.3300 -22.6100
58 C1b C 56.1400 -23.3100
59 C2c C 54.8800 -22.6100
60 C2b C 53.6200 -23.3100
61 C1a C 54.8800 -21.2100
62 C1b C 52.3600 -22.6100
63 C1b C 51.1700 -23.3100
64 C2c C 49.9100 -22.6100
65 C2b C 48.6500 -23.3100
66 C1a C 49.9100 -21.2100
67 P1b P 40.6700 -25.7600
68 O2c O 39.2000 -25.7600
69 O1c O 40.6700 -24.2900
70 O1c O 40.6700 -27.2300
71 P1b P 37.7300 -25.7600
72 O2b O 36.2600 -25.7600
73 O1c O 37.7300 -24.2900
74 O1c O 37.7300 -27.2300
75 C1b C 46.3400 -23.3100
76 C2c C 45.0800 -22.6100
77 C1a C 45.0800 -21.2100
78 C1b C 43.8900 -24.7100
79 C2b C 43.8900 -23.3100
80 C1b C 46.3400 -23.3100
81 C2c C 45.0800 -22.6100
82 C1a C 45.0800 -21.2100
83 C1b C 43.8900 -24.7100
84 C2b C 43.8900 -23.3100
85 C1b C 46.3400 -23.3100
86 C2c C 45.0800 -22.6100
87 C1a C 45.0800 -21.2100
88 C1b C 43.8900 -24.7100
89 C2b C 43.8900 -23.3100
90 C1b C 46.3400 -23.3100
91 C2c C 45.0800 -22.6100
92 C1a C 45.0800 -21.2100
93 C1b C 43.8900 -24.7100
94 C2b C 43.8900 -23.3100
95 C1b C 46.3400 -23.3100
96 C2c C 45.0800 -22.6100
97 C1a C 45.0800 -21.2100
98 C1b C 43.8900 -24.7100
99 C2b C 43.8900 -23.3100
100 C1b C 46.3400 -23.3100
101 C2c C 45.0800 -22.6100
102 C1a C 45.0800 -21.2100
103 C1b C 43.8900 -24.7100
104 C2b C 43.8900 -23.3100
105 C1b C 46.3400 -23.3100
106 C2c C 45.0800 -22.6100
107 C1a C 45.0800 -21.2100
108 C1b C 43.8900 -24.7100
109 C2b C 43.8900 -23.3100
BOND 112
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 5 11 1 #Down
11 10 12 1 #Up
12 7 10 1
13 13 14 1
14 13 15 1
15 13 16 1 #Up
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 16 20 1
20 17 21 1
21 17 22 1 #Up
22 21 23 1 #Up
23 19 21 1
24 24 25 1
25 24 26 1
26 24 27 1 #Up
27 25 28 1
28 25 29 1 #Down
29 26 30 1
30 27 31 1
31 28 32 1
32 28 33 1 #Up
33 32 34 1 #Down
34 30 32 1
35 35 36 1
36 35 37 1
37 35 38 1 #Up
38 36 39 1
39 36 40 1 #Down
40 37 41 1
41 38 42 1
42 39 43 1
43 39 44 1 #Up
44 43 45 1 #Down
45 41 43 1
46 57 58 1
47 58 59 1
48 59 60 2
49 59 61 1
50 60 62 1
51 55 57 1
52 53 54 1
53 54 55 2
54 62 63 1
55 63 64 1
56 64 65 2
57 64 66 1
58 65 46 1
59 54 56 1
60 52 67 1
61 67 68 1
62 67 69 1
63 67 70 2
64 68 71 1
65 71 72 1
66 71 73 1
67 71 74 2
68 41 72 1 #Down
69 30 40 1 #Up
70 19 33 1 #Down
71 7 23 1 #Down
72 46 47 1
73 48 49 1
74 48 47 1
75 50 51 1
76 51 48 2
77 50 75 1
78 76 77 1
79 76 75 1
80 78 79 1
81 79 76 2
82 78 80 1
83 81 82 1
84 81 80 1
85 83 84 1
86 84 81 2
87 83 85 1
88 86 87 1
89 86 85 1
90 88 89 1
91 89 86 2
92 88 90 1
93 91 92 1
94 91 90 1
95 93 94 1
96 94 91 2
97 93 95 1
98 96 97 1
99 96 95 1
100 98 99 1
101 99 96 2
102 98 100 1
103 101 102 1
104 101 100 1
105 103 104 1
106 104 101 2
107 103 105 1
108 106 107 1
109 106 105 1
110 108 109 1
111 109 106 2
112 108 52 1
BRACKET 1 43.6100 -25.8300 43.6100 -20.5800
1 46.6200 -20.5800 46.6200 -25.8300
1 8
ORIGINAL 1 47 48 49 50 51
REPEAT 1 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90
1 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106
1 107 108 109
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