COMPOUND: C04894
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Entry
C04894 Compound
Name
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine
Formula
C43H70N10O27P2
Exact mass
1220.3887
Mol weight
1221.0142
Structure
Mol file
KCF file
DB search
Reaction
R04613
Enzyme
2.3.2.10
Other DBs
PubChem:
7445
ChEBI:
17329
71358
NIKKAJI:
J2.757.588I
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KCF data
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ATOM 82
1 C1y C 38.6793 -18.4409
2 C1y C 38.6793 -19.8389
3 O2x O 37.4911 -17.7419
4 O2b O 39.8676 -17.7419
5 C1y C 37.4911 -20.5379
6 N1b N 39.8676 -20.5379
7 C1y C 36.3028 -18.4409
8 P1b P 41.2656 -17.7419
9 C1y C 36.3028 -19.8389
10 O2a O 37.4911 -21.9358
11 C5a C 39.8676 -21.9358
12 C1b C 35.0446 -17.7419
13 O2c O 42.6635 -17.7419
14 O1c O 41.2656 -16.3440
15 O1c O 41.2656 -19.1399
16 O1a O 35.0446 -20.5379
17 C1c C 36.2329 -22.6348
18 C1a C 38.7492 -22.7746
19 O5a O 41.1258 -22.6348
20 O1a O 35.0446 -16.3440
21 P1b P 44.0615 -17.7419
22 C5a C 36.2329 -24.0328
23 C1a C 35.0446 -21.9358
24 O2b O 45.4595 -17.7419
25 O1c O 44.0615 -16.3440
26 O1c O 44.0615 -19.1399
27 N1b N 35.0446 -24.7318
28 O5a O 37.4911 -24.7318
29 C1b C 45.8090 -19.0700
30 C1c C 33.8564 -23.9629
31 C1y C 47.0671 -19.7690
32 C5a C 32.6681 -24.6619
33 C1a C 33.8564 -22.6348
34 O2x O 48.1855 -18.9302
35 C1y C 47.4865 -21.0971
36 N1b N 31.4099 -23.9629
37 O5a O 32.5982 -26.0598
38 C1y C 49.3039 -19.7690
39 C1y C 48.8845 -21.0971
40 O1a O 46.7875 -22.2853
41 C1c C 30.2217 -24.6619
42 N4y N 50.6319 -18.8603
43 O1a O 49.5136 -22.2853
44 C1b C 29.0334 -23.9629
45 C6a C 30.2217 -26.0598
46 C8y C 51.8901 -18.0914
47 C8x C 49.4437 -18.0914
48 C1b C 27.7752 -24.6619
49 O6a O 28.9635 -26.7588
50 O6a O 31.4099 -26.7588
51 N4x N 51.8901 -16.7634
52 O5x O 53.0784 -18.7904
53 C8x C 49.4437 -16.7634
54 C5a C 26.5870 -23.9629
55 C8y C 50.6319 -15.9945
56 N1b N 25.3987 -24.6619
57 O5a O 26.5870 -22.5649
58 O5x O 50.6319 -14.5965
59 C1c C 24.1405 -25.3608
60 C1b C 22.9522 -24.6619
61 C5a C 24.1405 -26.7588
62 C1b C 23.3017 -23.3338
63 N1b N 25.3288 -27.4578
64 O5a O 22.9522 -27.4578
65 C1b C 22.3232 -22.3552
66 C1b C 22.6727 -20.9573
67 N1b N 21.6941 -19.9787
68 C1a C 24.1405 -29.5547
69 C1c C 25.3288 -28.8558
70 C5a C 26.5870 -29.5547
71 N1b N 27.7752 -28.8558
72 C1c C 28.9635 -29.5547
73 C6a C 30.2217 -28.8558
74 O6a O 31.4099 -29.5547
75 O5a O 26.5870 -30.9527
76 C1a C 28.9635 -30.9527
77 O6a O 30.2217 -27.4578
78 C5a C 21.6941 -18.5787
79 C1c C 22.9065 -17.8787
80 O5a O 20.4817 -17.8787
81 C1a C 22.9065 -16.4787
82 N1a N 24.1190 -18.5787
BOND 84
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 72 71 1 #Up
74 72 73 1
75 73 74 1
76 69 63 1 #Up
77 70 75 2
78 72 76 1
79 73 77 2
80 67 78 1
81 78 79 1
82 78 80 2
83 79 81 1
84 79 82 1 #Down
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