COMPOUND: C20880
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Entry
C20880 Compound
Name
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate;
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate
Formula
C41H64N8O29P2
Exact mass
1194.3254
Mol weight
1194.9306
Structure
Mol file
KCF file
DB search
Pathway
map01502
Vancomycin resistance
Other DBs
PubChem:
254741346
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KCF data
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ATOM 80
1 C1y C 34.0388 -20.4188
2 C1y C 34.0388 -21.8366
3 O2x O 32.8336 -19.7808
4 O2b O 35.2439 -19.7808
5 C1y C 32.8336 -22.5455
6 C1y C 31.6994 -20.4188
7 P1b P 36.5908 -19.7808
8 C1y C 31.6994 -21.8366
9 O2a O 32.8336 -23.8924
10 C1b C 30.4943 -19.7808
11 O2c O 38.0085 -19.7808
12 O1c O 36.5908 -18.3630
13 O1c O 36.5908 -21.1276
14 O1a O 30.4943 -22.5455
15 O1a O 29.2183 -20.4188
16 P1b P 39.3555 -19.7808
17 O2b O 40.7732 -19.7808
18 O1c O 39.3555 -18.3630
19 O1c O 39.3555 -21.1276
20 C1b C 42.1202 -19.2846
21 C1y C 43.3962 -19.7099
22 O2x O 44.5304 -18.8592
23 C1y C 43.8925 -20.9859
24 C1y C 45.6647 -19.7099
25 C1y C 45.2394 -20.9859
26 O1a O 43.0417 -22.1202
27 N4y N 47.3660 -19.0718
28 O1a O 46.0192 -22.1202
29 C8y C 48.5711 -18.3630
30 C8x C 46.1610 -18.3630
31 N4x N 48.5711 -17.0161
32 O5x O 49.7763 -19.0718
33 C8x C 46.1610 -17.0161
34 C8y C 47.3660 -16.3071
35 O5x O 47.3660 -14.9602
36 N1b N 35.2439 -22.5455
37 C5a C 35.2439 -23.9632
38 C1a C 36.4490 -24.6721
39 O5a O 34.0388 -24.6721
40 C1c C 31.6058 -24.6013
41 C1a C 30.3951 -23.9021
42 C5a C 31.6057 -26.3024
43 N1b N 30.3949 -27.0016
44 O5a O 32.8506 -27.0213
45 C1c C 29.1927 -26.3075
46 C5a C 27.9862 -27.0042
47 N1b N 26.7818 -26.3088
48 C1c C 25.5764 -27.0048
49 C1b C 24.3713 -26.3091
50 C1b C 23.1662 -27.0050
51 C5a C 21.9610 -26.3092
52 C6a C 25.5763 -28.4291
53 O6a O 24.3684 -29.1265
54 O6a O 26.8240 -29.1496
55 O5a O 27.9861 -28.2872
56 C1a C 29.1926 -24.9559
57 O5a O 21.9608 -24.8851
58 N1b N 20.7561 -27.0051
59 C1c C 19.5506 -26.3094
60 C5a C 18.3458 -27.0053
61 N1b N 17.1403 -26.3094
62 O5a O 18.3459 -28.4291
63 C1c C 15.9354 -27.0053
64 C7a C 14.7300 -26.3094
65 O7a O 13.5252 -27.0053
66 C1c C 12.3198 -26.3094
67 C6a C 11.1149 -27.0053
68 C1a C 12.3195 -24.8852
69 O6a O 9.9095 -26.3094
70 O6a O 11.1150 -28.4291
71 C1a C 15.9355 -28.4291
72 O6a O 14.7297 -24.8852
73 C1b C 19.5503 -24.8852
74 C1b C 18.3426 -24.1879
75 C1b C 18.3422 -22.7584
76 C1c C 17.1366 -22.0626
77 C6a C 15.9374 -22.7552
78 O6a O 14.7291 -22.0577
79 O6a O 15.9375 -24.1555
80 N1a N 17.1364 -20.6549
BOND 82
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 7 11 1
11 7 12 2
12 7 13 1
13 8 14 1 #Down
14 10 15 1
15 11 16 1
16 16 17 1
17 16 18 2
18 16 19 1
19 17 20 1
20 21 20 1 #Up
21 21 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 23 26 1 #Down
26 24 27 1 #Up
27 25 28 1 #Down
28 27 29 1
29 27 30 1
30 29 31 1
31 29 32 2
32 30 33 2
33 31 34 1
34 34 35 2
35 6 8 1
36 24 25 1
37 33 34 1
38 2 36 1 #Down
39 36 37 1
40 37 38 1
41 37 39 2
42 9 40 1
43 40 41 1 #Up
44 40 42 1
45 42 43 1
46 42 44 2
47 43 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 49 50 1
53 50 51 1
54 48 52 1 #Up
55 52 53 2
56 52 54 1
57 46 55 2
58 45 56 1 #Down
59 51 57 2
60 51 58 1
61 58 59 1
62 59 60 1
63 60 61 1
64 60 62 2
65 61 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 66 68 1 #Up
71 67 69 1
72 67 70 2
73 63 71 1 #Down
74 64 72 2
75 59 73 1 #Down
76 73 74 1
77 74 75 1
78 75 76 1
79 76 77 1
80 77 78 1
81 77 79 2
82 76 80 1 #Up
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