COMPOUND: C21493
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Entry
C21493 Compound
Name
alpha-D-Gal-(1->3)-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
R11599
Enzyme
2.4.1.343
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C21493 alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
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Other DBs
PubChem:
333497476
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KCF data
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ATOM 89
1 C1b C 21.5600 -11.2700
2 C1b C 20.5100 -11.9700
3 C2c C 19.2500 -11.2700
4 C1a C 19.2500 -9.8700
5 C1b C 18.0600 -13.3700
6 C2b C 18.0600 -11.9700
7 O2b O 16.3100 -14.4200
8 C1a C 35.2800 -11.9700
9 C2c C 34.0200 -11.2700
10 C2b C 32.7600 -11.9700
11 C1a C 34.0200 -9.8700
12 C1b C 31.5000 -11.2700
13 C1b C 30.3100 -11.9700
14 C2c C 29.0500 -11.2700
15 C2b C 27.7900 -11.9700
16 C1a C 29.0500 -9.8700
17 C1b C 26.5300 -11.2700
18 C1b C 25.3400 -11.9700
19 C2c C 24.0800 -11.2700
20 C2b C 22.8200 -11.9700
21 C1a C 24.0800 -9.8700
22 P1b P 14.8400 -14.4200
23 O2c O 13.3700 -14.4200
24 O1c O 14.8400 -12.9500
25 O1c O 14.8400 -15.8900
26 P1b P 11.9000 -14.4200
27 O2b O 10.4300 -14.4200
28 O1c O 11.9000 -12.9500
29 O1c O 11.9000 -15.8900
30 C1y C 9.2400 -15.1200
31 O2x O 8.0500 -14.4200
32 C1y C 6.7900 -15.1200
33 C1y C 6.7900 -16.5200
34 C1y C 7.9800 -17.2200
35 C1y C 9.2400 -16.5200
36 C1b C 5.6000 -14.4200
37 O2a O 7.9800 -18.6200
38 O1a O 5.6000 -17.2200
39 N1b N 10.4300 -17.2200
40 O1a O 4.4100 -15.1200
41 C5a C 10.4300 -18.6200
42 O5a O 9.2400 -19.3200
43 C1a C 11.6200 -19.3200
44 C1y C 6.7900 -19.3200
45 O2x O 5.6000 -18.6200
46 C1y C 4.3400 -19.3200
47 C1y C 4.3400 -20.7200
48 C1y C 5.5300 -21.4200
49 C1y C 6.7900 -20.7200
50 C1b C 3.1500 -18.6200
51 O1a O 3.1500 -21.4200
52 O1a O 5.5300 -22.8200
53 O1a O 7.9800 -21.4200
54 O1a O 1.9600 -19.3200
55 C1b C 20.5100 -11.9700
56 C2c C 19.2500 -11.2700
57 C1a C 19.2500 -9.8700
58 C1b C 18.0600 -13.3700
59 C2b C 18.0600 -11.9700
60 C1b C 20.5100 -11.9700
61 C2c C 19.2500 -11.2700
62 C1a C 19.2500 -9.8700
63 C1b C 18.0600 -13.3700
64 C2b C 18.0600 -11.9700
65 C1b C 20.5100 -11.9700
66 C2c C 19.2500 -11.2700
67 C1a C 19.2500 -9.8700
68 C1b C 18.0600 -13.3700
69 C2b C 18.0600 -11.9700
70 C1b C 20.5100 -11.9700
71 C2c C 19.2500 -11.2700
72 C1a C 19.2500 -9.8700
73 C1b C 18.0600 -13.3700
74 C2b C 18.0600 -11.9700
75 C1b C 20.5100 -11.9700
76 C2c C 19.2500 -11.2700
77 C1a C 19.2500 -9.8700
78 C1b C 18.0600 -13.3700
79 C2b C 18.0600 -11.9700
80 C1b C 20.5100 -11.9700
81 C2c C 19.2500 -11.2700
82 C1a C 19.2500 -9.8700
83 C1b C 18.0600 -13.3700
84 C2b C 18.0600 -11.9700
85 C1b C 20.5100 -11.9700
86 C2c C 19.2500 -11.2700
87 C1a C 19.2500 -9.8700
88 C1b C 18.0600 -13.3700
89 C2b C 18.0600 -11.9700
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 44 45 1
40 45 46 1
41 46 47 1
42 47 48 1
43 48 49 1
44 44 49 1
45 46 50 1 #Up
46 47 51 1 #Up
47 48 52 1 #Up
48 49 53 1 #Down
49 50 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 17.7800 -14.7700 17.7800 -9.5200
1 20.7200 -9.5200 20.7200 -14.7700
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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