COMPOUND: C20886
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Entry
C20886 Compound
Name
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminopimelate;
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminoheptanedioate
Formula
C35H55N7O26P2
Exact mass
1051.2672
Mol weight
1051.79
Structure
Mol file
KCF file
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Pathway
map01502
Vancomycin resistance
Other DBs
PubChem:
254741349
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KCF data
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ATOM 70
1 C1y C 25.8488 -14.5388
2 C1y C 25.8488 -15.9566
3 O2x O 24.6436 -13.9008
4 O2b O 27.0539 -13.9008
5 C1y C 24.6436 -16.6655
6 C1y C 23.5094 -14.5388
7 P1b P 28.4008 -13.9008
8 C1y C 23.5094 -15.9566
9 O2a O 24.6436 -18.0124
10 C1b C 22.3043 -13.9008
11 O2c O 29.8185 -13.9008
12 O1c O 28.4008 -12.4830
13 O1c O 28.4008 -15.2476
14 O1a O 22.3043 -16.6655
15 O1a O 21.0283 -14.5388
16 P1b P 31.1655 -13.9008
17 O2b O 32.5832 -13.9008
18 O1c O 31.1655 -12.4830
19 O1c O 31.1655 -15.2476
20 C1b C 33.9302 -13.4046
21 C1y C 35.2062 -13.8299
22 O2x O 36.3404 -12.9792
23 C1y C 35.7025 -15.1059
24 C1y C 37.4747 -13.8299
25 C1y C 37.0494 -15.1059
26 O1a O 34.8517 -16.2402
27 N4y N 39.1760 -13.1918
28 O1a O 37.8292 -16.2402
29 C8y C 40.3811 -12.4830
30 C8x C 37.9710 -12.4830
31 N4x N 40.3811 -11.1361
32 O5x O 41.5863 -13.1918
33 C8x C 37.9710 -11.1361
34 C8y C 39.1760 -10.4271
35 O5x O 39.1760 -9.0802
36 N1b N 27.0539 -16.6655
37 C5a C 27.0539 -18.0832
38 C1a C 28.2590 -18.7921
39 O5a O 25.8488 -18.7921
40 C1c C 23.4158 -18.7213
41 C1a C 22.2051 -18.0221
42 C5a C 23.4157 -20.4224
43 N1b N 22.2049 -21.1216
44 O5a O 24.6606 -21.1413
45 C1c C 21.0027 -20.4275
46 C5a C 19.7962 -21.1242
47 N1b N 18.5918 -20.4288
48 C1c C 17.3864 -21.1248
49 C1b C 16.1813 -20.4291
50 C1b C 14.9762 -21.1250
51 C5a C 13.7710 -20.4292
52 C6a C 17.3863 -22.5491
53 O6a O 16.1784 -23.2465
54 O6a O 18.6340 -23.2696
55 O5a O 19.7961 -22.4072
56 C1a C 21.0026 -19.0759
57 O5a O 13.7708 -19.0051
58 N1b N 12.5661 -21.1251
59 C1c C 11.3606 -20.4294
60 C6a C 10.1558 -21.1253
61 O6a O 10.1559 -22.5491
62 C1b C 11.3603 -19.0052
63 C1b C 10.1526 -18.3079
64 C1b C 10.1522 -16.8784
65 C1c C 8.9466 -16.1826
66 C6a C 7.7474 -16.8752
67 O6a O 6.5391 -16.1777
68 O6a O 7.7475 -18.2755
69 N1a N 8.9464 -14.7749
70 O6a O 8.5253 -20.2167
BOND 72
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 2
64 59 62 1 #Down
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 66 68 2
71 65 69 1 #Up
72 60 70 1
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