Entry |
|
Name |
|
Formula |
C25H43N13O10
|
Exact mass |
685.3256
|
Mol weight |
685.69
|
Structure |
|
Sequence |
0 beta-Lys 1 Dpr 2 Ser 3 Ser 4 Ala 5 Cpd (Cyclization: 1-5) |
Gene |
|
Organism |
Streptomyces vinaceus |
Type |
NRP |
Comment |
4 Ala is modified by beta-Ureidodehydro. (i.e. beta-Ureidodehydroalanine, Uda)
|
Reaction |
|
Pathway |
map01054 | Nonribosomal peptide structures |
|
Enzyme |
|
Other DBs |
|
KCF data |
ATOM 48
1 N1x N 25.2187 -15.1141
2 C5x C 25.2187 -16.4776
3 O5x O 26.3995 -17.1593
4 O5x O 27.5822 -16.4776
5 C1y C 26.3995 -14.4323
6 C1y C 24.0379 -17.1593
7 C1x C 24.0379 -19.5455
8 N1x N 25.2187 -20.2273
9 C5x C 26.3995 -19.5455
10 C1y C 27.5804 -20.2273
11 N1x N 28.7612 -19.5455
12 O5x O 28.7612 -17.1593
13 C1b C 26.3995 -13.0690
14 O1a O 27.5639 -12.3966
15 C5x C 27.5638 -15.1047
16 N1x N 28.7203 -14.4371
17 C1y C 29.8805 -15.1072
18 C5x C 29.8805 -16.4773
19 C1b C 31.0390 -14.4383
20 O1a O 32.1980 -15.1077
21 N1x N 31.0497 -17.1342
22 C2y C 31.0655 -19.5454
23 N1b N 22.8735 -16.4869
24 C5a C 21.7199 -17.1593
25 C1b C 20.5390 -16.4776
26 C1c C 19.3582 -17.1593
27 C1b C 18.1774 -16.4776
28 C1b C 16.9965 -17.1593
29 C1b C 15.8157 -16.4776
30 N1a N 14.6349 -17.1593
31 O5a O 21.7227 -18.5228
32 N1a N 19.3582 -18.5229
33 O5x O 26.3995 -18.1822
34 C5x C 29.9441 -20.2284
35 C2b C 32.2689 -20.2164
36 N1b N 33.4139 -19.5323
37 C5a C 34.5996 -20.1934
38 N1a N 35.7747 -19.4911
39 O5a O 34.5498 -21.5908
40 O5x O 29.9618 -21.5903
41 C1y C 27.5804 -21.8633
42 C1x C 26.4180 -22.5346
43 C1y C 26.4182 -23.8981
44 N1x N 27.5991 -24.5797
45 C2y C 28.7616 -23.9084
46 N1x N 28.7614 -22.5448
47 N2a N 29.9444 -24.5910
48 O1a O 25.2539 -24.5709
BOND 49
1 1 2 1
2 2 3 2
3 1 5 1
4 2 6 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 10 11 1
10 5 13 1 #Up
11 13 14 1
12 5 15 1
13 15 16 1
14 15 4 2
15 16 17 1
16 17 18 1
17 19 20 1
18 17 19 1 #Up
19 12 18 2
20 18 21 1
21 21 22 1
22 6 23 1 #Down
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 24 31 2
31 26 32 1 #Up
32 9 33 2
33 11 34 1
34 34 22 1
35 22 35 2
36 35 36 1
37 36 37 1
38 37 38 1
39 37 39 2
40 34 40 2
41 10 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 41 46 1
48 45 47 2
49 43 48 1 #Up
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