 | | COMPOUND: C20390 | |
| Entry |
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| Name |
N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol
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| Formula |
C58H97NO12P2
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| Exact mass |
1061.6486
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| Mol weight |
1062.3378
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map00572 | Arabinogalactan biosynthesis - Mycobacterium |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20390 N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol
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| Other DBs |
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| KCF data |
ATOM 73
1 C1y C 18.3607 -28.8232
2 C1y C 18.3607 -30.1973
3 O2x O 17.1730 -28.1537
4 C1y C 17.1730 -30.8727
5 N1b N 19.7988 -31.3385
6 C1y C 15.9911 -28.8232
7 C1y C 15.9911 -30.1973
8 O1a O 17.1730 -32.2351
9 C5a C 20.2123 -32.5612
10 C1b C 14.8323 -28.1537
11 O1a O 14.8323 -30.8727
12 C1a C 21.5572 -32.7300
13 O5a O 19.3738 -33.6384
14 O1a O 13.7902 -29.0270
15 O2b O 19.6063 -28.0724
16 P1b P 21.2100 -28.0700
17 O1c O 21.2100 -26.6000
18 O1c O 21.2100 -29.5400
19 C1b C 30.9400 -24.9200
20 C1b C 29.8900 -25.6200
21 C2c C 28.6300 -24.9200
22 C1a C 28.6300 -23.5200
23 C1b C 27.4400 -27.0200
24 C2b C 27.4400 -25.6200
25 O2b O 25.6900 -28.0700
26 C1a C 39.6900 -25.6200
27 C2c C 38.4300 -24.9200
28 C2b C 37.1700 -25.6200
29 C1a C 38.4300 -23.5200
30 C1b C 35.9100 -24.9200
31 C1b C 34.7200 -25.6200
32 C2c C 33.4600 -24.9200
33 C2b C 32.2000 -25.6200
34 C1a C 33.4600 -23.5200
35 P1b P 24.2900 -28.0700
36 O2c O 22.8900 -28.0700
37 O1c O 24.2900 -26.6700
38 O1c O 24.2900 -29.4700
39 C1b C 29.8900 -25.6200
40 C2c C 28.6300 -24.9200
41 C1a C 28.6300 -23.5200
42 C1b C 27.4400 -27.0200
43 C2b C 27.4400 -25.6200
44 C1b C 29.8900 -25.6200
45 C2c C 28.6300 -24.9200
46 C1a C 28.6300 -23.5200
47 C1b C 27.4400 -27.0200
48 C2b C 27.4400 -25.6200
49 C1b C 29.8900 -25.6200
50 C2c C 28.6300 -24.9200
51 C1a C 28.6300 -23.5200
52 C1b C 27.4400 -27.0200
53 C2b C 27.4400 -25.6200
54 C1b C 29.8900 -25.6200
55 C2c C 28.6300 -24.9200
56 C1a C 28.6300 -23.5200
57 C1b C 27.4400 -27.0200
58 C2b C 27.4400 -25.6200
59 C1b C 29.8900 -25.6200
60 C2c C 28.6300 -24.9200
61 C1a C 28.6300 -23.5200
62 C1b C 27.4400 -27.0200
63 C2b C 27.4400 -25.6200
64 C1b C 29.8900 -25.6200
65 C2c C 28.6300 -24.9200
66 C1a C 28.6300 -23.5200
67 C1b C 27.4400 -27.0200
68 C2b C 27.4400 -25.6200
69 C1b C 29.8900 -25.6200
70 C2c C 28.6300 -24.9200
71 C1a C 28.6300 -23.5200
72 C1b C 27.4400 -27.0200
73 C2b C 27.4400 -25.6200
BOND 73
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Down
5 3 6 1
6 4 7 1
7 4 8 1 #Up
8 5 9 1
9 6 10 1 #Up
10 7 11 1 #Down
11 9 12 1
12 9 13 2
13 10 14 1
14 6 7 1
15 16 17 1
16 16 18 2
17 15 16 1
18 1 15 1 #Down
19 26 27 1
20 27 28 2
21 27 29 1
22 28 30 1
23 30 31 1
24 31 32 1
25 32 33 2
26 32 34 1
27 33 19 1
28 25 35 1
29 35 36 1
30 35 37 1
31 35 38 2
32 16 36 1
33 19 20 1
34 21 22 1
35 21 20 1
36 23 24 1
37 24 21 2
38 23 39 1
39 40 41 1
40 40 39 1
41 42 43 1
42 43 40 2
43 42 44 1
44 45 46 1
45 45 44 1
46 47 48 1
47 48 45 2
48 47 49 1
49 50 51 1
50 50 49 1
51 52 53 1
52 53 50 2
53 52 54 1
54 55 56 1
55 55 54 1
56 57 58 1
57 58 55 2
58 57 59 1
59 60 61 1
60 60 59 1
61 62 63 1
62 63 60 2
63 62 64 1
64 65 66 1
65 65 64 1
66 67 68 1
67 68 65 2
68 67 69 1
69 70 71 1
70 70 69 1
71 72 73 1
72 73 70 2
73 72 25 1
BRACKET 1 27.1600 -28.1400 27.1600 -22.8900
1 30.1000 -22.8900 30.1000 -28.1400
1 8
ORIGINAL 1 20 21 22 23 24
REPEAT 1 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
1 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70
1 71 72 73
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