COMPOUND: C04804
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Entry
C04804 Compound
Name
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine;
UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine
Formula
C38H60N8O27P2
Exact mass
1122.3043
Mol weight
1122.8679
Structure
Mol file
KCF file
DB search
Reaction
R08850
Enzyme
3.4.17.8
Other DBs
PubChem:
7366
NIKKAJI:
J2.754.533E
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KCF data
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ATOM 75
1 C1y C 29.2760 -17.0193
2 C1y C 29.2760 -18.4200
3 O2x O 28.0853 -16.3889
4 O2b O 30.4666 -16.3889
5 C1y C 28.0853 -19.1204
6 C1y C 26.9647 -17.0193
7 P1b P 31.8674 -16.3889
8 C1y C 26.9647 -18.4200
9 O2a O 28.0853 -20.4512
10 C1b C 25.7741 -16.3889
11 O2c O 33.2681 -16.3889
12 O1c O 31.8674 -14.9181
13 O1c O 31.8674 -17.7197
14 O1a O 25.7741 -19.1204
15 O1a O 24.4433 -17.0193
16 P1b P 34.5989 -16.3889
17 O2b O 35.9996 -16.3889
18 O1c O 34.5989 -14.9181
19 O1c O 34.5989 -17.7197
20 C1b C 37.4004 -15.8286
21 C1y C 38.6611 -16.3189
22 O2x O 39.7817 -15.4084
23 C1y C 39.1514 -17.5796
24 C1y C 40.9023 -16.3189
25 C1y C 40.4821 -17.5796
26 O1a O 38.3109 -18.7002
27 N4y N 42.6533 -15.6185
28 O1a O 41.2525 -18.7002
29 C8y C 43.8439 -14.9181
30 C8x C 41.3926 -14.9181
31 N4x N 43.8439 -13.5874
32 O5x O 45.0346 -15.6185
33 C8x C 41.3926 -13.5874
34 C8y C 42.6533 -12.8870
35 O5x O 42.6533 -11.5563
36 N1b N 30.4666 -19.1204
37 C5a C 30.4666 -20.5212
38 C1a C 31.7273 -21.2216
39 O5a O 29.2760 -21.2216
40 C1c C 26.8947 -21.1515
41 C1a C 25.6340 -20.4512
42 C5a C 26.8947 -22.9025
43 N1b N 25.6340 -23.6029
44 O5a O 28.0853 -23.6029
45 C1c C 24.4433 -22.9025
46 C5a C 23.2527 -23.6029
47 N1b N 22.0620 -22.9025
48 C1c C 20.8013 -23.6029
49 C1b C 19.6107 -22.9025
50 C1b C 18.4200 -23.6029
51 C5a C 17.2294 -22.9025
52 C6a C 20.8013 -25.0036
53 O6a O 19.6107 -25.7040
54 O6a O 22.0620 -25.7040
55 O5a O 23.2527 -24.8636
56 C1a C 24.4433 -21.5718
57 O5a O 17.2294 -21.4317
58 N1b N 16.0387 -23.6029
59 C1c C 14.7781 -22.9025
60 C5a C 13.5874 -23.6029
61 N1b N 12.3968 -22.9025
62 O5a O 13.5874 -25.0036
63 C1c C 11.2061 -23.6029
64 C6a C 9.9454 -22.9025
65 C1a C 11.2061 -25.0036
66 O6a O 9.9454 -21.5017
67 C1b C 14.7781 -21.5017
68 C1b C 13.5874 -20.8013
69 C1b C 13.5874 -19.3305
70 C1c C 12.3968 -18.6302
71 C6a C 11.2061 -19.3305
72 O6a O 9.9454 -18.6302
73 O6a O 11.2061 -20.7313
74 N1a N 12.3968 -17.2294
75 O6a O 8.7403 -23.6116
BOND 77
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 63 65 1 #Down
68 64 66 2
69 59 67 1 #Down
70 67 68 1
71 68 69 1
72 69 70 1
73 70 71 1
74 71 72 1
75 71 73 2
76 70 74 1 #Down
77 64 75 1
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