COMPOUND: C20874
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Entry
C20874 Compound
Name
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;
GlcNAc-(1->4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol
Formula
C94H156N8O27P2
Exact mass
1891.0555
Mol weight
1892.23
Structure
Mol file
KCF file
DB search
Pathway
map01502
Vancomycin resistance
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20874 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine
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Other DBs
PubChem:
254741340
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KCF data
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ATOM 131
1 C1y C 49.7000 -37.7300
2 C1y C 49.7000 -36.3300
3 C1y C 48.5100 -38.4300
4 N1b N 51.0300 -38.9200
5 O2x O 48.5100 -35.7000
6 O2b O 50.8900 -35.7000
7 C1y C 47.3200 -37.7300
8 O2a O 48.5100 -44.2400
9 C5a C 51.0300 -40.3200
10 C1y C 47.3200 -36.3300
11 O2a O 45.2200 -38.2200
12 C1a C 52.2200 -40.9500
13 O5a O 49.8400 -41.0200
14 C1b C 46.2000 -35.7000
15 O1a O 44.9400 -36.3300
16 C1b C 62.0200 -32.5500
17 C1b C 60.9700 -33.2500
18 C2c C 59.7100 -32.5500
19 C1a C 59.7100 -31.1500
20 C1b C 58.5200 -34.6500
21 C2b C 58.5200 -33.2500
22 O2b O 56.7700 -35.7000
23 C1a C 75.7400 -33.2500
24 C2c C 74.4800 -32.5500
25 C2b C 73.2200 -33.2500
26 C1a C 74.4800 -31.1500
27 C1b C 71.9600 -32.5500
28 C1b C 70.7700 -33.2500
29 C2c C 69.5100 -32.5500
30 C2b C 68.2500 -33.2500
31 C1a C 69.5100 -31.1500
32 C1b C 66.9900 -32.5500
33 C1b C 65.8000 -33.2500
34 C2c C 64.5400 -32.5500
35 C2b C 63.2800 -33.2500
36 C1a C 64.5400 -31.1500
37 P1b P 55.3000 -35.7000
38 O2c O 53.8300 -35.7000
39 O1c O 55.3000 -34.2300
40 O1c O 55.3000 -37.1700
41 P1b P 52.3600 -35.7000
42 O1c O 52.3600 -34.2300
43 O1c O 52.3600 -37.1700
44 C1c C 47.3200 -44.9400
45 C5a C 47.3200 -46.3400
46 N1b N 46.1300 -47.0400
47 O5a O 48.5100 -47.0400
48 C1c C 44.9400 -46.3400
49 C5a C 43.7500 -47.0400
50 C1a C 44.9400 -45.0100
51 N1b N 42.5600 -46.3400
52 O5a O 43.7500 -48.4400
53 C1a C 46.1300 -43.8900
54 C1c C 41.3700 -47.0400
55 C1b C 40.1800 -46.3400
56 C6a C 41.3700 -48.4400
57 O6a O 42.5600 -49.1400
58 O6a O 40.1800 -49.1400
59 C1b C 38.9900 -47.0400
60 C5a C 37.8000 -46.3400
61 N1b N 36.6100 -47.0400
62 O5a O 37.8000 -44.9400
63 C1c C 35.3500 -47.7400
64 C5a C 35.3500 -49.1400
65 C1b C 34.1600 -47.0400
66 C1b C 32.9700 -47.7400
67 C1b C 31.7800 -47.0400
68 C1b C 30.5900 -47.7400
69 N1a N 29.4000 -47.0400
70 O5a O 34.1600 -49.8400
71 N1b N 36.5400 -49.8400
72 C1c C 36.5400 -51.2400
73 C1a C 35.3500 -51.9400
74 C5a C 37.8000 -51.9400
75 N1b N 38.9900 -51.2400
76 C1c C 40.2500 -51.9400
77 C6a C 41.4400 -51.2400
78 O6a O 42.7000 -51.9400
79 O5a O 37.8700 -53.3400
80 C1b C 40.2500 -53.3400
81 O6a O 41.4400 -49.8400
82 O1a O 41.5100 -54.1100
83 C1y C 43.2600 -40.0400
84 C1y C 43.2600 -41.4400
85 O2x O 42.0700 -39.4100
86 C1y C 42.0000 -42.0700
87 N1b N 44.3800 -42.0700
88 C1y C 40.8800 -40.0400
89 C1y C 40.8800 -41.3700
90 C5a C 45.5000 -41.3700
91 C1b C 39.6900 -39.4100
92 O1a O 39.6900 -42.0700
93 O5a O 45.5000 -40.0400
94 O1a O 39.6900 -38.0100
95 O1a O 42.0000 -43.4000
96 C1a C 46.6900 -42.0700
97 C1b C 60.9700 -33.2500
98 C2c C 59.7100 -32.5500
99 C1a C 59.7100 -31.1500
100 C1b C 58.5200 -34.6500
101 C2b C 58.5200 -33.2500
102 C1b C 60.9700 -33.2500
103 C2c C 59.7100 -32.5500
104 C1a C 59.7100 -31.1500
105 C1b C 58.5200 -34.6500
106 C2b C 58.5200 -33.2500
107 C1b C 60.9700 -33.2500
108 C2c C 59.7100 -32.5500
109 C1a C 59.7100 -31.1500
110 C1b C 58.5200 -34.6500
111 C2b C 58.5200 -33.2500
112 C1b C 60.9700 -33.2500
113 C2c C 59.7100 -32.5500
114 C1a C 59.7100 -31.1500
115 C1b C 58.5200 -34.6500
116 C2b C 58.5200 -33.2500
117 C1b C 60.9700 -33.2500
118 C2c C 59.7100 -32.5500
119 C1a C 59.7100 -31.1500
120 C1b C 58.5200 -34.6500
121 C2b C 58.5200 -33.2500
122 C1b C 60.9700 -33.2500
123 C2c C 59.7100 -32.5500
124 C1a C 59.7100 -31.1500
125 C1b C 58.5200 -34.6500
126 C2b C 58.5200 -33.2500
127 C1b C 60.9700 -33.2500
128 C2c C 59.7100 -32.5500
129 C1a C 59.7100 -31.1500
130 C1b C 58.5200 -34.6500
131 C2b C 58.5200 -33.2500
BOND 132
1 7 10 1
2 1 2 1
3 1 3 1
4 1 4 1 #Down
5 2 5 1
6 2 6 1 #Down
7 3 7 1
8 3 8 1 #Up
9 4 9 1
10 5 10 1
11 7 11 1 #Down
12 9 12 1
13 9 13 2
14 10 14 1 #Up
15 14 15 1
16 27 28 1
17 28 29 1
18 29 30 2
19 29 31 1
20 30 32 1
21 25 27 1
22 23 24 1
23 24 25 2
24 32 33 1
25 33 34 1
26 34 35 2
27 34 36 1
28 35 16 1
29 24 26 1
30 22 37 1
31 37 38 1
32 37 39 1
33 37 40 2
34 38 41 1
35 41 6 1
36 41 42 1
37 41 43 2
38 8 44 1
39 44 45 1
40 45 46 1
41 45 47 2
42 48 46 1 #Down
43 48 49 1
44 48 50 1
45 49 51 1
46 49 52 2
47 44 53 1 #Up
48 54 51 1 #Up
49 54 55 1
50 54 56 1
51 56 57 2
52 56 58 1
53 55 59 1
54 59 60 1
55 60 61 1
56 60 62 2
57 63 61 1 #Down
58 63 64 1
59 63 65 1
60 65 66 1
61 66 67 1
62 67 68 1
63 68 69 1
64 64 70 2
65 64 71 1
66 72 71 1 #Up
67 72 73 1
68 72 74 1
69 74 75 1
70 76 75 1 #Up
71 76 77 1
72 77 78 1
73 74 79 2
74 76 80 1
75 77 81 2
76 80 82 1
77 83 11 1 #Up
78 83 84 1
79 83 85 1
80 84 86 1
81 84 87 1 #Down
82 85 88 1
83 86 89 1
84 87 90 1
85 88 91 1 #Up
86 89 92 1 #Down
87 90 93 2
88 91 94 1
89 88 89 1
90 86 95 1 #Up
91 90 96 1
92 16 17 1
93 18 19 1
94 18 17 1
95 20 21 1
96 21 18 2
97 20 97 1
98 98 99 1
99 98 97 1
100 100 101 1
101 101 98 2
102 100 102 1
103 103 104 1
104 103 102 1
105 105 106 1
106 106 103 2
107 105 107 1
108 108 109 1
109 108 107 1
110 110 111 1
111 111 108 2
112 110 112 1
113 113 114 1
114 113 112 1
115 115 116 1
116 116 113 2
117 115 117 1
118 118 119 1
119 118 117 1
120 120 121 1
121 121 118 2
122 120 122 1
123 123 124 1
124 123 122 1
125 125 126 1
126 126 123 2
127 125 127 1
128 128 129 1
129 128 127 1
130 130 131 1
131 131 128 2
132 130 22 1
BRACKET 1 58.1700 -35.6300 58.1700 -30.4500
1 61.1100 -30.4500 61.1100 -35.6300
1 8
ORIGINAL 1 17 18 19 20 21
REPEAT 1 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112
1 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128
1 129 130 131
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