COMPOUND: C06432
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Entry
C06432 Compound
Name
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine
Formula
C37H60N8O25P2
Exact mass
1078.3145
Mol weight
1078.86
Structure
Mol file
KCF file
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Reaction
R04611
Pathway
map01502
Vancomycin resistance
Enzyme
3.4.17.8
Other DBs
PubChem:
8666
NIKKAJI:
J2.767.308B
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KCF data
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ATOM 72
1 C1y C 38.6763 -18.4394
2 C1y C 38.6763 -19.8373
3 O2x O 37.4882 -17.7405
4 O2b O 39.8646 -17.7405
5 C1y C 37.4882 -20.5363
6 N1b N 39.8646 -20.5363
7 C1y C 36.3000 -18.4394
8 P1b P 41.2623 -17.7405
9 C1y C 36.3000 -19.8373
10 O2a O 37.4882 -21.9341
11 C5a C 39.8646 -21.9341
12 C1b C 35.0419 -17.7405
13 O2c O 42.6601 -17.7405
14 O1c O 41.2623 -16.3427
15 O1c O 41.2623 -19.1384
16 O1a O 35.0419 -20.5363
17 C1c C 36.2301 -22.6330
18 C1a C 38.7462 -22.7728
19 O5a O 41.1226 -22.6330
20 O1a O 35.0419 -16.3427
21 P1b P 44.0580 -17.7405
22 C5a C 36.2301 -24.0309
23 C1a C 35.0419 -21.9341
24 O2b O 45.4559 -17.7405
25 O1c O 44.0580 -16.3427
26 O1c O 44.0580 -19.1384
27 N1b N 35.0419 -24.7299
28 O5a O 37.4882 -24.7299
29 C1b C 45.8054 -19.0685
30 C1c C 33.8538 -23.9610
31 C1y C 47.0634 -19.7674
32 C5a C 32.6656 -24.6600
33 C1a C 33.8538 -22.6330
34 O2x O 48.1817 -18.9287
35 C1y C 47.4828 -21.0954
36 N1b N 31.4075 -23.9610
37 O5a O 32.5957 -26.0578
38 C1y C 49.3001 -19.7674
39 C1y C 48.8807 -21.0954
40 O1a O 46.7838 -22.2836
41 C1c C 30.2194 -24.6600
42 N4y N 50.6280 -18.8588
43 O1a O 49.5097 -22.2836
44 C1b C 29.0312 -23.9610
45 C6a C 30.2194 -26.0578
46 C8y C 51.8861 -18.0900
47 C8x C 49.4398 -18.0900
48 C1b C 27.7730 -24.6600
49 O6a O 28.9613 -26.7567
50 O6a O 31.4075 -26.7567
51 N4x N 51.8861 -16.7621
52 O5x O 53.0743 -18.7889
53 C8x C 49.4398 -16.7621
54 C5a C 26.5849 -23.9610
55 C8y C 50.6280 -15.9932
56 N1b N 25.3967 -24.6600
57 O5a O 26.5849 -22.5631
58 O5x O 50.6280 -14.5953
59 C1c C 24.1386 -25.3588
60 C1b C 22.9504 -24.6600
61 C5a C 24.1386 -26.7567
62 C1b C 23.2999 -23.3320
63 N1b N 25.3268 -27.4557
64 O5a O 22.9504 -27.4557
65 C1b C 22.3214 -22.3534
66 C1b C 22.6709 -20.9557
67 N1a N 21.6924 -19.9771
68 C1a C 24.1386 -29.5524
69 C1c C 25.3268 -28.8536
70 C6a C 26.5849 -29.5524
71 O6a O 27.7730 -28.8536
72 O6a O 26.5849 -30.9503
BOND 74
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Down
16 10 17 1
17 11 18 1
18 11 19 2
19 12 20 1
20 13 21 1
21 17 22 1
22 17 23 1 #Up
23 21 24 1
24 21 25 1
25 21 26 2
26 22 27 1
27 22 28 2
28 24 29 1
29 30 27 1 #Down
30 31 29 1 #Up
31 30 32 1
32 30 33 1
33 31 34 1
34 31 35 1
35 32 36 1
36 32 37 2
37 34 38 1
38 35 39 1
39 35 40 1 #Down
40 41 36 1 #Up
41 38 42 1 #Up
42 39 43 1 #Down
43 41 44 1
44 41 45 1
45 42 46 1
46 42 47 1
47 44 48 1
48 45 49 1
49 45 50 2
50 46 51 1
51 46 52 2
52 47 53 2
53 48 54 1
54 51 55 1
55 54 56 1
56 54 57 2
57 55 58 2
58 59 56 1 #Down
59 59 60 1
60 59 61 1
61 60 62 1
62 61 63 1
63 61 64 2
64 62 65 1
65 65 66 1
66 66 67 1
67 7 9 1
68 38 39 1
69 53 55 1
70 68 69 1
71 69 70 1
72 70 71 1
73 69 63 1 #Up
74 70 72 2
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