COMPOUND: C21780
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Entry
C21780 Compound
Name
alpha-D-Mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
Formula
C69H115NO17P2
Exact mass
1291.764
Mol weight
1292.5954
Structure
Mol file
KCF file
DB search
Reaction
R11937
R11938
Enzyme
2.4.1.348
2.4.1.349
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C21780 alpha-D-Mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
BRITE hierarchy
Other DBs
PubChem:
354339123
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KCF data
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ATOM 89
1 C1b C 30.4500 -12.9500
2 C1b C 29.4000 -13.6500
3 C2c C 28.1400 -12.9500
4 C1a C 28.1400 -11.5500
5 C1b C 26.9500 -15.0500
6 C2b C 26.9500 -13.6500
7 O2b O 25.2000 -16.1000
8 C1a C 44.1700 -13.6500
9 C2c C 42.9100 -12.9500
10 C2b C 41.6500 -13.6500
11 C1a C 42.9100 -11.5500
12 C1b C 40.3900 -12.9500
13 C1b C 39.2000 -13.6500
14 C2c C 37.9400 -12.9500
15 C2b C 36.6800 -13.6500
16 C1a C 37.9400 -11.5500
17 C1b C 35.4200 -12.9500
18 C1b C 34.2300 -13.6500
19 C2c C 32.9700 -12.9500
20 C2b C 31.7100 -13.6500
21 C1a C 32.9700 -11.5500
22 P1b P 23.7300 -16.1000
23 O2c O 22.2600 -16.1000
24 O1c O 23.7300 -14.6300
25 O1c O 23.7300 -17.5700
26 P1b P 20.7900 -16.1000
27 O2b O 19.3200 -16.1000
28 O1c O 20.7900 -14.6300
29 O1c O 20.7900 -17.5700
30 C1y C 18.1300 -16.8000
31 O2x O 16.9400 -16.1000
32 C1y C 15.6800 -16.8000
33 C1y C 15.6800 -18.2000
34 C1y C 16.8700 -18.9000
35 C1y C 18.1300 -18.2000
36 C1b C 14.4900 -16.1000
37 O2a O 16.8700 -20.3000
38 O1a O 14.4900 -18.9000
39 N1b N 19.3200 -18.9000
40 O1a O 13.3000 -16.8000
41 C5a C 19.3200 -20.3000
42 O5a O 18.1300 -21.0000
43 C1a C 20.5100 -21.0000
44 C1y C 15.6800 -21.0000
45 C1y C 13.2300 -21.0000
46 C1y C 13.2300 -22.4000
47 C1y C 14.4200 -23.1000
48 C1y C 15.6800 -22.4000
49 O2x O 14.4200 -20.3000
50 O1a O 16.8700 -23.1000
51 O1a O 14.4200 -24.5000
52 C1b C 12.0400 -20.3000
53 O1a O 12.0400 -23.1000
54 O1a O 10.8276 -21.0000
55 C1b C 29.4000 -13.6500
56 C2c C 28.1400 -12.9500
57 C1a C 28.1400 -11.5500
58 C1b C 26.9500 -15.0500
59 C2b C 26.9500 -13.6500
60 C1b C 29.4000 -13.6500
61 C2c C 28.1400 -12.9500
62 C1a C 28.1400 -11.5500
63 C1b C 26.9500 -15.0500
64 C2b C 26.9500 -13.6500
65 C1b C 29.4000 -13.6500
66 C2c C 28.1400 -12.9500
67 C1a C 28.1400 -11.5500
68 C1b C 26.9500 -15.0500
69 C2b C 26.9500 -13.6500
70 C1b C 29.4000 -13.6500
71 C2c C 28.1400 -12.9500
72 C1a C 28.1400 -11.5500
73 C1b C 26.9500 -15.0500
74 C2b C 26.9500 -13.6500
75 C1b C 29.4000 -13.6500
76 C2c C 28.1400 -12.9500
77 C1a C 28.1400 -11.5500
78 C1b C 26.9500 -15.0500
79 C2b C 26.9500 -13.6500
80 C1b C 29.4000 -13.6500
81 C2c C 28.1400 -12.9500
82 C1a C 28.1400 -11.5500
83 C1b C 26.9500 -15.0500
84 C2b C 26.9500 -13.6500
85 C1b C 29.4000 -13.6500
86 C2c C 28.1400 -12.9500
87 C1a C 28.1400 -11.5500
88 C1b C 26.9500 -15.0500
89 C2b C 26.9500 -13.6500
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 #Down
39 45 46 1
40 46 47 1
41 47 48 1
42 48 44 1
43 45 49 1
44 48 50 1 #Up
45 47 51 1 #Up
46 45 52 1 #Up
47 46 53 1 #Down
48 49 44 1
49 52 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 26.6700 -16.1700 26.6700 -10.9200
1 29.6100 -10.9200 29.6100 -16.1700
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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