COMPOUND: C20620
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Entry
C20620 Compound
Name
N-Acetyl-alpha-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol;
N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol
Formula
C63H105NO12P2
Exact mass
1129.7112
Mol weight
1130.4548
Structure
Mol file
KCF file
DB search
Reaction
R10435
R10465
R10554
Enzyme
2.4.1.306
2.7.8.40
5.1.3.26
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20620 N-Acetyl-alpha-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol
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Other DBs
PubChem:
172232344
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KCF data
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ATOM 78
1 C1b C 20.3700 -13.0200
2 C1b C 19.3200 -13.7200
3 C2c C 18.0600 -13.0200
4 C1a C 18.0600 -11.6200
5 C1b C 16.8700 -15.1200
6 C2b C 16.8700 -13.7200
7 O2b O 15.1200 -16.1700
8 C1a C 34.0900 -13.7200
9 C2c C 32.8300 -13.0200
10 C2b C 31.5700 -13.7200
11 C1a C 32.8300 -11.6200
12 C1b C 30.3100 -13.0200
13 C1b C 29.1200 -13.7200
14 C2c C 27.8600 -13.0200
15 C2b C 26.6000 -13.7200
16 C1a C 27.8600 -11.6200
17 C1b C 25.3400 -13.0200
18 C1b C 24.1500 -13.7200
19 C2c C 22.8900 -13.0200
20 C2b C 21.6300 -13.7200
21 C1a C 22.8900 -11.6200
22 P1b P 13.6500 -16.1700
23 O2c O 12.1800 -16.1700
24 O1c O 13.6500 -14.7000
25 O1c O 13.6500 -17.6400
26 P1b P 10.7100 -16.1700
27 O2b O 9.2400 -16.1700
28 O1c O 10.7100 -14.7000
29 O1c O 10.7100 -17.6400
30 C1y C 8.0500 -16.8700
31 O2x O 6.8600 -16.1700
32 C1y C 5.6000 -16.8700
33 C1y C 5.6000 -18.2700
34 C1y C 6.7900 -18.9700
35 C1y C 8.0500 -18.2700
36 C1b C 4.4100 -16.1700
37 O1a O 6.7900 -20.3700
38 O1a O 4.4100 -18.9700
39 N1b N 9.2400 -18.9700
40 O1a O 3.2200 -16.8700
41 C5a C 9.2400 -20.3700
42 O5a O 8.0500 -21.0700
43 C1a C 10.4300 -21.0700
44 C1b C 19.3200 -13.7200
45 C2c C 18.0600 -13.0200
46 C1a C 18.0600 -11.6200
47 C1b C 16.8700 -15.1200
48 C2b C 16.8700 -13.7200
49 C1b C 19.3200 -13.7200
50 C2c C 18.0600 -13.0200
51 C1a C 18.0600 -11.6200
52 C1b C 16.8700 -15.1200
53 C2b C 16.8700 -13.7200
54 C1b C 19.3200 -13.7200
55 C2c C 18.0600 -13.0200
56 C1a C 18.0600 -11.6200
57 C1b C 16.8700 -15.1200
58 C2b C 16.8700 -13.7200
59 C1b C 19.3200 -13.7200
60 C2c C 18.0600 -13.0200
61 C1a C 18.0600 -11.6200
62 C1b C 16.8700 -15.1200
63 C2b C 16.8700 -13.7200
64 C1b C 19.3200 -13.7200
65 C2c C 18.0600 -13.0200
66 C1a C 18.0600 -11.6200
67 C1b C 16.8700 -15.1200
68 C2b C 16.8700 -13.7200
69 C1b C 19.3200 -13.7200
70 C2c C 18.0600 -13.0200
71 C1a C 18.0600 -11.6200
72 C1b C 16.8700 -15.1200
73 C2b C 16.8700 -13.7200
74 C1b C 19.3200 -13.7200
75 C2c C 18.0600 -13.0200
76 C1a C 18.0600 -11.6200
77 C1b C 16.8700 -15.1200
78 C2b C 16.8700 -13.7200
BOND 78
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 #Up
33 35 39 1 #Down
34 36 40 1
35 39 41 1
36 41 42 2
37 41 43 1
38 1 2 1
39 3 4 1
40 3 2 1
41 5 6 1
42 6 3 2
43 5 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 74 1
74 75 76 1
75 75 74 1
76 77 78 1
77 78 75 2
78 77 7 1
BRACKET 1 16.5900 -16.5200 16.5900 -11.2700
1 19.5300 -11.2700 19.5300 -16.5200
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59
1 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
1 76 77 78
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