COMPOUND: C20869
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Entry
C20869 Compound
Name
UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate
Formula
C40H64N8O27P2
Exact mass
1150.3356
Mol weight
1150.92
Structure
Mol file
KCF file
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Pathway
map01502
Vancomycin resistance
Other DBs
PubChem:
254741335
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KCF data
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ATOM 77
1 C1y C 19.9193 -11.8609
2 C1y C 19.9193 -13.2589
3 O2x O 18.7311 -11.1619
4 O2b O 21.1076 -11.1619
5 C1y C 18.7311 -13.9579
6 N1b N 21.1076 -13.9579
7 C1y C 17.5428 -11.8609
8 P1b P 22.5056 -11.1619
9 C1y C 17.5428 -13.2589
10 O2a O 18.7311 -15.3558
11 C5a C 21.1076 -15.3558
12 C1b C 16.2846 -11.1619
13 O2c O 23.9035 -11.1619
14 O1c O 22.5056 -9.7640
15 O1c O 22.5056 -12.5599
16 O1a O 16.2846 -13.9579
17 C1c C 17.4729 -16.0548
18 C1a C 19.9892 -16.1946
19 O5a O 22.3658 -16.0548
20 O1a O 16.2846 -9.7640
21 P1b P 25.3015 -11.1619
22 C5a C 17.4729 -17.4528
23 C1a C 16.2846 -15.0058
24 O2b O 26.6995 -11.1619
25 O1c O 25.3015 -9.7640
26 O1c O 25.3015 -12.5599
27 N1b N 16.2846 -18.1518
28 O5a O 18.7311 -18.1518
29 C1b C 27.0490 -12.4900
30 C1c C 15.0964 -17.3829
31 C1y C 28.3071 -13.1890
32 C5a C 13.9081 -18.0819
33 C1a C 15.0964 -16.0548
34 O2x O 29.4255 -12.3502
35 C1y C 28.7265 -14.5171
36 N1b N 12.6499 -17.3829
37 O5a O 13.8382 -19.4798
38 C1y C 30.5439 -13.1890
39 C1y C 30.1245 -14.5171
40 O1a O 28.0275 -15.7053
41 C1c C 11.4617 -18.0819
42 N4y N 31.8719 -12.2803
43 O1a O 30.7536 -15.7053
44 C1b C 10.2734 -17.3829
45 C6a C 11.4617 -19.4798
46 C8y C 33.1301 -11.5114
47 C8x C 30.6837 -11.5114
48 C1b C 9.0152 -18.0819
49 O6a O 10.2035 -20.1788
50 O6a O 12.6499 -20.1788
51 N4x N 33.1301 -10.1834
52 O5x O 34.3184 -12.2104
53 C8x C 30.6837 -10.1834
54 C5a C 7.8270 -17.3829
55 C8y C 31.8719 -9.4145
56 N1b N 6.6387 -18.1519
57 O5a O 7.8270 -15.9849
58 O5x O 31.8719 -8.0165
59 C1c C 5.3805 -18.7808
60 C1b C 4.1922 -18.0819
61 C5a C 5.3805 -20.1788
62 C1b C 4.5417 -16.7538
63 N1b N 6.5688 -20.8778
64 O5a O 4.1922 -20.8778
65 C1b C 3.5632 -15.7752
66 C1b C 3.9127 -14.3773
67 N1a N 2.9341 -13.3987
68 C1a C 5.3805 -22.9747
69 C1c C 6.5688 -22.2758
70 C7a C 7.8270 -22.9747
71 O7a O 9.0152 -22.2758
72 C1c C 10.2035 -22.9747
73 C6a C 11.4617 -22.2758
74 O6a O 12.6499 -22.9747
75 O6a O 7.8270 -24.3727
76 C1a C 10.2035 -24.3727
77 O6a O 11.4617 -20.8778
BOND 79
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
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