Showing NP-Card for Cicadapeptin I (NP0005660)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 02:51:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:52:38 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0005660 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Cicadapeptin I | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Cicadapeptin I belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Cicadapeptin I is found in Cordyceps. Cicadapeptin I was first documented in 2005 (PMID: 15679316). Based on a literature review very few articles have been published on cicadapeptin I. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0005660 (Cicadapeptin I)
Mrv1652307012118033D
161162 0 0 0 0 999 V2000
16.0247 3.9296 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9422 3.0044 0.5335 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5777 1.5861 0.7204 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2697 1.0973 0.2219 C 0 0 2 0 0 0 0 0 0 0 0 0
14.0344 1.6882 0.7644 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8114 1.0476 0.0461 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8147 -0.4008 0.2529 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7895 -1.2715 -0.3197 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3797 -1.2561 -0.0155 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5303 -0.1107 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5649 0.9308 0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5877 -0.1784 -1.3215 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3957 -1.2279 -2.3299 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3715 -0.3440 -3.6078 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6544 -0.3612 -4.0976 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0098 1.0391 -3.1466 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5956 0.7903 -1.6763 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2511 0.2178 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4610 0.7301 -2.5713 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7173 -0.7581 -0.8157 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2076 -1.4639 0.3310 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8869 -2.9172 0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0490 -3.5379 -0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8082 -2.8616 -1.0005 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3751 -1.3825 -1.0033 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4980 -1.1509 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -2.0667 0.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 -0.0106 0.9661 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 0.0955 2.0990 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2545 0.5540 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 0.9215 0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 0.5246 2.5883 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 0.8920 2.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0433 0.6969 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 2.3868 1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7644 0.1641 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 0.0099 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0748 -0.4430 1.2364 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5830 -1.1498 0.0313 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8210 -2.4144 -0.1815 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1149 -3.1540 -1.4460 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3285 -4.4346 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -5.3628 -2.5750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -4.6681 -0.5823 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0268 -1.3135 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6524 -0.2568 0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8150 -2.4595 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2328 -2.4308 0.4687 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8265 -3.8349 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3976 -2.0165 1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9181 -1.5093 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2157 -0.8747 -1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3360 -1.3532 -0.4095 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.9784 -0.4497 -1.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.6106 -1.0787 -2.5231 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6706 -2.0788 -2.1470 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2266 -2.5885 -3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0966 -3.2965 -1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9949 0.3766 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5810 -0.0801 0.3773 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3075 1.6553 -1.1263 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.3415 2.4930 -0.4595 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.2100 2.9621 -1.5712 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.4962 3.7360 -2.5722 N 0 0 1 0 0 0 0 0 0 0 0 0
-11.6823 3.5327 0.3709 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5662 4.4511 1.1498 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.5190 5.2949 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3801 3.6933 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 1.0309 3.1453 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2785 2.4413 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3403 0.5637 3.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6853 4.7311 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4666 3.4839 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3691 4.5416 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9881 3.1606 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0718 3.2855 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6912 1.2652 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3630 0.9446 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2528 -0.0075 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2073 1.0724 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9099 1.6000 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8996 2.7709 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9132 1.3049 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9774 1.6352 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7964 -0.7724 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9496 -0.6738 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9174 -1.3358 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1461 -2.3577 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9015 -2.1537 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2738 -1.5874 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3765 -1.6016 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -1.9470 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6418 -0.7552 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2240 0.2109 -3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8560 1.7299 -3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1044 1.3766 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6852 1.7355 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5557 -1.1889 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2528 -1.3125 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5148 -3.4254 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7212 -3.4280 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -3.5154 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2076 -3.1614 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9904 -1.1053 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 0.7581 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 -0.9365 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 0.2008 3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 1.1447 4.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -0.3411 3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9716 1.3102 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 2.6786 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 2.7033 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 2.9534 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 -0.3858 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -0.4910 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -2.2394 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0346 -3.1252 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1332 -3.3628 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6390 -2.5508 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1492 -6.3336 -2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 -5.0484 -3.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3743 -3.3796 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 -4.5906 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8909 -3.7954 0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8083 -4.0570 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8398 -1.0142 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4308 -2.0679 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0575 -2.7654 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8650 -1.8888 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1847 0.2499 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8471 -1.5865 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0251 -0.2456 -3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4814 -1.6355 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4474 -1.6928 -4.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3511 -3.0836 -3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0844 -3.2665 -3.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0014 -3.3153 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4466 -4.2047 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4581 -3.4325 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8676 2.1116 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9017 1.8005 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1568 3.4210 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5057 2.0135 -2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1010 4.1036 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8135 4.3807 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0775 4.1733 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9722 3.0803 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9196 5.1680 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6240 6.3168 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2849 5.5100 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5827 4.9179 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8540 2.7840 2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4097 3.4556 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4995 4.3490 3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 1.1027 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3392 2.5460 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 2.5989 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0756 3.1505 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2227 0.4397 3.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5453 1.3135 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0758 -0.4092 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 6 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
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40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
48 51 1 6 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
54 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
62 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
29 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
17 12 1 0 0 0 0
25 20 1 0 0 0 0
1 72 1 0 0 0 0
1 73 1 0 0 0 0
1 74 1 0 0 0 0
2 75 1 0 0 0 0
2 76 1 0 0 0 0
3 77 1 0 0 0 0
3 78 1 0 0 0 0
4 79 1 0 0 0 0
4 80 1 0 0 0 0
5 81 1 0 0 0 0
5 82 1 0 0 0 0
6 83 1 0 0 0 0
6 84 1 0 0 0 0
7 85 1 0 0 0 0
7 86 1 0 0 0 0
8 87 1 0 0 0 0
8 88 1 0 0 0 0
9 89 1 0 0 0 0
9 90 1 0 0 0 0
13 91 1 0 0 0 0
13 92 1 0 0 0 0
14 93 1 6 0 0 0
15 94 1 0 0 0 0
16 95 1 0 0 0 0
16 96 1 0 0 0 0
17 97 1 1 0 0 0
21 98 1 0 0 0 0
21 99 1 0 0 0 0
22100 1 1 0 0 0
23101 1 0 0 0 0
24102 1 0 0 0 0
24103 1 0 0 0 0
25104 1 6 0 0 0
28105 1 0 0 0 0
29106 1 1 0 0 0
32107 1 0 0 0 0
34108 1 0 0 0 0
34109 1 0 0 0 0
34110 1 0 0 0 0
35111 1 0 0 0 0
35112 1 0 0 0 0
35113 1 0 0 0 0
38114 1 0 0 0 0
39115 1 6 0 0 0
40116 1 0 0 0 0
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41118 1 0 0 0 0
41119 1 0 0 0 0
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43121 1 0 0 0 0
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49123 1 0 0 0 0
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50126 1 0 0 0 0
50127 1 0 0 0 0
50128 1 0 0 0 0
53129 1 0 0 0 0
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55131 1 0 0 0 0
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56133 1 1 0 0 0
57134 1 0 0 0 0
57135 1 0 0 0 0
57136 1 0 0 0 0
58137 1 0 0 0 0
58138 1 0 0 0 0
58139 1 0 0 0 0
61140 1 0 0 0 0
62141 1 1 0 0 0
63142 1 0 0 0 0
63143 1 0 0 0 0
64144 1 0 0 0 0
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65146 1 0 0 0 0
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66148 1 1 0 0 0
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67150 1 0 0 0 0
67151 1 0 0 0 0
68152 1 0 0 0 0
68153 1 0 0 0 0
68154 1 0 0 0 0
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70156 1 0 0 0 0
70157 1 0 0 0 0
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71159 1 0 0 0 0
71160 1 0 0 0 0
71161 1 0 0 0 0
M END
3D MOL for NP0005660 (Cicadapeptin I)
RDKit 3D
161162 0 0 0 0 0 0 0 0999 V2000
16.0247 3.9296 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9422 3.0044 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5777 1.5861 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2697 1.0973 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0344 1.6882 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8114 1.0476 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8147 -0.4008 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7895 -1.2715 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3797 -1.2561 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5303 -0.1107 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5649 0.9308 0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5877 -0.1784 -1.3215 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3957 -1.2279 -2.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3715 -0.3440 -3.6078 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6544 -0.3612 -4.0976 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0098 1.0391 -3.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5956 0.7903 -1.6763 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2511 0.2178 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4610 0.7301 -2.5713 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7173 -0.7581 -0.8157 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2076 -1.4639 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8869 -2.9172 0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0490 -3.5379 -0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8082 -2.8616 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 -1.3825 -1.0033 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4980 -1.1509 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -2.0667 0.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 -0.0106 0.9661 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 0.0955 2.0990 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2545 0.5540 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 0.9215 0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 0.5246 2.5883 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 0.8920 2.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0433 0.6969 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 2.3868 1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7644 0.1641 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 0.0099 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0748 -0.4430 1.2364 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5830 -1.1498 0.0313 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8210 -2.4144 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -3.1540 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3285 -4.4346 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -5.3628 -2.5750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -4.6681 -0.5823 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0268 -1.3135 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6524 -0.2568 0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8150 -2.4595 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2328 -2.4308 0.4687 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8265 -3.8349 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3976 -2.0165 1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9181 -1.5093 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2157 -0.8747 -1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3360 -1.3532 -0.4095 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.9784 -0.4497 -1.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.6106 -1.0787 -2.5231 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6706 -2.0788 -2.1470 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2266 -2.5885 -3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0966 -3.2965 -1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9949 0.3766 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5810 -0.0801 0.3773 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3075 1.6553 -1.1263 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.3415 2.4930 -0.4595 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.2100 2.9621 -1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4962 3.7360 -2.5722 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6823 3.5327 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5662 4.4511 1.1498 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.5190 5.2949 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3801 3.6933 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 1.0309 3.1453 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2785 2.4413 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3403 0.5637 3.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6853 4.7311 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4666 3.4839 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3691 4.5416 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9881 3.1606 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0718 3.2855 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6912 1.2652 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3630 0.9446 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2528 -0.0075 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2073 1.0724 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9099 1.6000 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8996 2.7709 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9132 1.3049 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9774 1.6352 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7964 -0.7724 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9496 -0.6738 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9174 -1.3358 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1461 -2.3577 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9015 -2.1537 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2738 -1.5874 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3765 -1.6016 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -1.9470 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6418 -0.7552 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2240 0.2109 -3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8560 1.7299 -3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1044 1.3766 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6852 1.7355 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5557 -1.1889 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2528 -1.3125 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5148 -3.4254 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7212 -3.4280 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -3.5154 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2076 -3.1614 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9904 -1.1053 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 0.7581 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 -0.9365 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 0.2008 3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 1.1447 4.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -0.3411 3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9716 1.3102 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 2.6786 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 2.7033 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 2.9534 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 -0.3858 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -0.4910 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -2.2394 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0346 -3.1252 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1332 -3.3628 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6390 -2.5508 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1492 -6.3336 -2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 -5.0484 -3.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3743 -3.3796 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 -4.5906 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8909 -3.7954 0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8083 -4.0570 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8398 -1.0142 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4308 -2.0679 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0575 -2.7654 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8650 -1.8888 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1847 0.2499 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8471 -1.5865 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0251 -0.2456 -3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4814 -1.6355 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4474 -1.6928 -4.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3511 -3.0836 -3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0844 -3.2665 -3.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0014 -3.3153 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4466 -4.2047 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.8676 2.1116 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.8135 4.3807 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.9722 3.0803 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9196 5.1680 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6240 6.3168 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2849 5.5100 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5827 4.9179 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
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-14.4097 3.4556 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4995 4.3490 3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 1.1027 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3392 2.5460 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 2.5989 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0756 3.1505 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2227 0.4397 3.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5453 1.3135 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0758 -0.4092 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
33 36 1 6
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 2 0
39 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
48 51 1 6
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
56 58 1 0
54 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
62 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
29 69 1 0
69 70 1 0
69 71 1 0
17 12 1 0
25 20 1 0
1 72 1 0
1 73 1 0
1 74 1 0
2 75 1 0
2 76 1 0
3 77 1 0
3 78 1 0
4 79 1 0
4 80 1 0
5 81 1 0
5 82 1 0
6 83 1 0
6 84 1 0
7 85 1 0
7 86 1 0
8 87 1 0
8 88 1 0
9 89 1 0
9 90 1 0
13 91 1 0
13 92 1 0
14 93 1 6
15 94 1 0
16 95 1 0
16 96 1 0
17 97 1 1
21 98 1 0
21 99 1 0
22100 1 1
23101 1 0
24102 1 0
24103 1 0
25104 1 6
28105 1 0
29106 1 1
32107 1 0
34108 1 0
34109 1 0
34110 1 0
35111 1 0
35112 1 0
35113 1 0
38114 1 0
39115 1 6
40116 1 0
40117 1 0
41118 1 0
41119 1 0
43120 1 0
43121 1 0
47122 1 0
49123 1 0
49124 1 0
49125 1 0
50126 1 0
50127 1 0
50128 1 0
53129 1 0
54130 1 6
55131 1 0
55132 1 0
56133 1 1
57134 1 0
57135 1 0
57136 1 0
58137 1 0
58138 1 0
58139 1 0
61140 1 0
62141 1 1
63142 1 0
63143 1 0
64144 1 0
64145 1 0
65146 1 0
65147 1 0
66148 1 1
67149 1 0
67150 1 0
67151 1 0
68152 1 0
68153 1 0
68154 1 0
69155 1 1
70156 1 0
70157 1 0
70158 1 0
71159 1 0
71160 1 0
71161 1 0
M END
3D SDF for NP0005660 (Cicadapeptin I)
Mrv1652307012118033D
161162 0 0 0 0 999 V2000
16.0247 3.9296 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9422 3.0044 0.5335 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5777 1.5861 0.7204 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2697 1.0973 0.2219 C 0 0 2 0 0 0 0 0 0 0 0 0
14.0344 1.6882 0.7644 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8114 1.0476 0.0461 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8147 -0.4008 0.2529 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7895 -1.2715 -0.3197 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3797 -1.2561 -0.0155 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5303 -0.1107 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5649 0.9308 0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5877 -0.1784 -1.3215 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3957 -1.2279 -2.3299 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3715 -0.3440 -3.6078 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6544 -0.3612 -4.0976 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0098 1.0391 -3.1466 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5956 0.7903 -1.6763 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2511 0.2178 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4610 0.7301 -2.5713 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7173 -0.7581 -0.8157 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2076 -1.4639 0.3310 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8869 -2.9172 0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0490 -3.5379 -0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8082 -2.8616 -1.0005 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3751 -1.3825 -1.0033 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4980 -1.1509 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -2.0667 0.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 -0.0106 0.9661 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 0.0955 2.0990 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2545 0.5540 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 0.9215 0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 0.5246 2.5883 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 0.8920 2.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0433 0.6969 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 2.3868 1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7644 0.1641 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 0.0099 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0748 -0.4430 1.2364 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5830 -1.1498 0.0313 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8210 -2.4144 -0.1815 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1149 -3.1540 -1.4460 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3285 -4.4346 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -5.3628 -2.5750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -4.6681 -0.5823 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0268 -1.3135 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6524 -0.2568 0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8150 -2.4595 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2328 -2.4308 0.4687 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8265 -3.8349 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3976 -2.0165 1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9181 -1.5093 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2157 -0.8747 -1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3360 -1.3532 -0.4095 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.9784 -0.4497 -1.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.6106 -1.0787 -2.5231 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6706 -2.0788 -2.1470 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2266 -2.5885 -3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0966 -3.2965 -1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9949 0.3766 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5810 -0.0801 0.3773 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3075 1.6553 -1.1263 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.3415 2.4930 -0.4595 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.2100 2.9621 -1.5712 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.4962 3.7360 -2.5722 N 0 0 1 0 0 0 0 0 0 0 0 0
-11.6823 3.5327 0.3709 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5662 4.4511 1.1498 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.5190 5.2949 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3801 3.6933 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 1.0309 3.1453 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2785 2.4413 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3403 0.5637 3.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6853 4.7311 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4666 3.4839 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3691 4.5416 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9881 3.1606 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0718 3.2855 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6912 1.2652 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3630 0.9446 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2528 -0.0075 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2073 1.0724 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9099 1.6000 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8996 2.7709 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9132 1.3049 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9774 1.6352 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7964 -0.7724 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9496 -0.6738 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9174 -1.3358 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1461 -2.3577 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9015 -2.1537 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2738 -1.5874 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3765 -1.6016 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -1.9470 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6418 -0.7552 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2240 0.2109 -3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8560 1.7299 -3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1044 1.3766 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6852 1.7355 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5557 -1.1889 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2528 -1.3125 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5148 -3.4254 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7212 -3.4280 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -3.5154 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2076 -3.1614 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9904 -1.1053 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 0.7581 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 -0.9365 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 0.2008 3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 1.1447 4.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -0.3411 3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9716 1.3102 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 2.6786 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 2.7033 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 2.9534 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 -0.3858 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.8398 -1.0142 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4308 -2.0679 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0575 -2.7654 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8650 -1.8888 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1847 0.2499 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8471 -1.5865 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0251 -0.2456 -3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4814 -1.6355 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4474 -1.6928 -4.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3511 -3.0836 -3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.4581 -3.4325 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8676 2.1116 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9017 1.8005 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1568 3.4210 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5057 2.0135 -2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1010 4.1036 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8135 4.3807 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0775 4.1733 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9722 3.0803 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9196 5.1680 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6240 6.3168 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2849 5.5100 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5827 4.9179 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8540 2.7840 2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4097 3.4556 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4995 4.3490 3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 1.1027 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3392 2.5460 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 2.5989 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0756 3.1505 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2227 0.4397 3.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5453 1.3135 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0758 -0.4092 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 6 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
48 51 1 6 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
54 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
62 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
29 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
17 12 1 0 0 0 0
25 20 1 0 0 0 0
1 72 1 0 0 0 0
1 73 1 0 0 0 0
1 74 1 0 0 0 0
2 75 1 0 0 0 0
2 76 1 0 0 0 0
3 77 1 0 0 0 0
3 78 1 0 0 0 0
4 79 1 0 0 0 0
4 80 1 0 0 0 0
5 81 1 0 0 0 0
5 82 1 0 0 0 0
6 83 1 0 0 0 0
6 84 1 0 0 0 0
7 85 1 0 0 0 0
7 86 1 0 0 0 0
8 87 1 0 0 0 0
8 88 1 0 0 0 0
9 89 1 0 0 0 0
9 90 1 0 0 0 0
13 91 1 0 0 0 0
13 92 1 0 0 0 0
14 93 1 6 0 0 0
15 94 1 0 0 0 0
16 95 1 0 0 0 0
16 96 1 0 0 0 0
17 97 1 1 0 0 0
21 98 1 0 0 0 0
21 99 1 0 0 0 0
22100 1 1 0 0 0
23101 1 0 0 0 0
24102 1 0 0 0 0
24103 1 0 0 0 0
25104 1 6 0 0 0
28105 1 0 0 0 0
29106 1 1 0 0 0
32107 1 0 0 0 0
34108 1 0 0 0 0
34109 1 0 0 0 0
34110 1 0 0 0 0
35111 1 0 0 0 0
35112 1 0 0 0 0
35113 1 0 0 0 0
38114 1 0 0 0 0
39115 1 6 0 0 0
40116 1 0 0 0 0
40117 1 0 0 0 0
41118 1 0 0 0 0
41119 1 0 0 0 0
43120 1 0 0 0 0
43121 1 0 0 0 0
47122 1 0 0 0 0
49123 1 0 0 0 0
49124 1 0 0 0 0
49125 1 0 0 0 0
50126 1 0 0 0 0
50127 1 0 0 0 0
50128 1 0 0 0 0
53129 1 0 0 0 0
54130 1 6 0 0 0
55131 1 0 0 0 0
55132 1 0 0 0 0
56133 1 1 0 0 0
57134 1 0 0 0 0
57135 1 0 0 0 0
57136 1 0 0 0 0
58137 1 0 0 0 0
58138 1 0 0 0 0
58139 1 0 0 0 0
61140 1 0 0 0 0
62141 1 1 0 0 0
63142 1 0 0 0 0
63143 1 0 0 0 0
64144 1 0 0 0 0
64145 1 0 0 0 0
65146 1 0 0 0 0
65147 1 0 0 0 0
66148 1 1 0 0 0
67149 1 0 0 0 0
67150 1 0 0 0 0
67151 1 0 0 0 0
68152 1 0 0 0 0
68153 1 0 0 0 0
68154 1 0 0 0 0
69155 1 1 0 0 0
70156 1 0 0 0 0
70157 1 0 0 0 0
70158 1 0 0 0 0
71159 1 0 0 0 0
71160 1 0 0 0 0
71161 1 0 0 0 0
M END
> <DATABASE_ID>
NP0005660
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(C(=O)N2C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]2([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C50H90N10O11/c1-12-13-14-15-16-17-18-19-40(64)59-27-34(62)25-38(59)46(69)60-28-33(61)24-37(60)44(67)56-41(31(6)7)45(68)58-50(10,11)47(70)54-35(20-21-39(52)63)43(66)57-49(8,9)48(71)55-36(23-30(4)5)42(65)53-32(26-51)22-29(2)3/h29-38,41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,65)(H,54,70)(H,55,71)(H,56,67)(H,57,66)(H,58,68)/t32-,33+,34+,35-,36-,37-,38-,41-/m0/s1
> <INCHI_KEY>
NVJOHXLMVTYSFU-DSBHZGLUSA-N
> <FORMULA>
C50H90N10O11
> <MOLECULAR_WEIGHT>
1007.329
> <EXACT_MASS>
1006.679053758
> <JCHEM_ACCEPTOR_COUNT>
12
> <JCHEM_ATOM_COUNT>
161
> <JCHEM_AVERAGE_POLARIZABILITY>
113.30114003778127
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
10
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-N-(1-{[(1S)-1-{[(2S)-1-amino-4-methylpentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-1-methylethyl)-2-{2-[(2S)-2-{[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}pentanediamide
> <ALOGPS_LOGP>
2.22
> <JCHEM_LOGP>
0.2209523909999998
> <ALOGPS_LOGS>
-4.82
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
12.030945153574153
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.60497787022762
> <JCHEM_PKA_STRONGEST_BASIC>
9.182539589770672
> <JCHEM_POLAR_SURFACE_AREA>
324.7899999999999
> <JCHEM_REFRACTIVITY>
266.04290000000015
> <JCHEM_ROTATABLE_BOND_COUNT>
30
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.52e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-(1-{[(1S)-1-{[(2S)-1-amino-4-methylpentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-1-methylethyl)-2-{2-[(2S)-2-{[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0005660 (Cicadapeptin I)
RDKit 3D
161162 0 0 0 0 0 0 0 0999 V2000
16.0247 3.9296 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9422 3.0044 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5777 1.5861 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2697 1.0973 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0344 1.6882 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8114 1.0476 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8147 -0.4008 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7895 -1.2715 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3797 -1.2561 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5303 -0.1107 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5649 0.9308 0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5877 -0.1784 -1.3215 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3957 -1.2279 -2.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3715 -0.3440 -3.6078 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6544 -0.3612 -4.0976 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0098 1.0391 -3.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5956 0.7903 -1.6763 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2511 0.2178 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4610 0.7301 -2.5713 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7173 -0.7581 -0.8157 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2076 -1.4639 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8869 -2.9172 0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0490 -3.5379 -0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8082 -2.8616 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 -1.3825 -1.0033 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4980 -1.1509 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -2.0667 0.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 -0.0106 0.9661 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 0.0955 2.0990 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2545 0.5540 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 0.9215 0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 0.5246 2.5883 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 0.8920 2.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0433 0.6969 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 2.3868 1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7644 0.1641 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 0.0099 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0748 -0.4430 1.2364 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5830 -1.1498 0.0313 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8210 -2.4144 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -3.1540 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3285 -4.4346 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -5.3628 -2.5750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -4.6681 -0.5823 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0268 -1.3135 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6524 -0.2568 0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8150 -2.4595 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2328 -2.4308 0.4687 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8265 -3.8349 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3976 -2.0165 1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9181 -1.5093 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2157 -0.8747 -1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3360 -1.3532 -0.4095 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.9784 -0.4497 -1.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.6106 -1.0787 -2.5231 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6706 -2.0788 -2.1470 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2266 -2.5885 -3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0966 -3.2965 -1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9949 0.3766 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5810 -0.0801 0.3773 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3075 1.6553 -1.1263 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.3415 2.4930 -0.4595 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.2100 2.9621 -1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4962 3.7360 -2.5722 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6823 3.5327 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5662 4.4511 1.1498 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.5190 5.2949 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3801 3.6933 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 1.0309 3.1453 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2785 2.4413 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3403 0.5637 3.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6853 4.7311 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4666 3.4839 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3691 4.5416 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9881 3.1606 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0718 3.2855 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6912 1.2652 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3630 0.9446 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2528 -0.0075 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2073 1.0724 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9099 1.6000 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8996 2.7709 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9132 1.3049 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9774 1.6352 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7964 -0.7724 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9496 -0.6738 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9174 -1.3358 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1461 -2.3577 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9015 -2.1537 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2738 -1.5874 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3765 -1.6016 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -1.9470 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6418 -0.7552 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2240 0.2109 -3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8560 1.7299 -3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1044 1.3766 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6852 1.7355 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5557 -1.1889 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2528 -1.3125 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5148 -3.4254 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7212 -3.4280 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -3.5154 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2076 -3.1614 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9904 -1.1053 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 0.7581 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 -0.9365 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 0.2008 3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 1.1447 4.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -0.3411 3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9716 1.3102 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 2.6786 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 2.7033 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 2.9534 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 -0.3858 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -0.4910 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -2.2394 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0346 -3.1252 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1332 -3.3628 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6390 -2.5508 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1492 -6.3336 -2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 -5.0484 -3.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3743 -3.3796 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 -4.5906 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8909 -3.7954 0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8083 -4.0570 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8398 -1.0142 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4308 -2.0679 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0575 -2.7654 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8650 -1.8888 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1847 0.2499 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8471 -1.5865 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0251 -0.2456 -3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4814 -1.6355 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4474 -1.6928 -4.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3511 -3.0836 -3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0844 -3.2665 -3.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0014 -3.3153 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4466 -4.2047 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4581 -3.4325 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8676 2.1116 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9017 1.8005 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1568 3.4210 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5057 2.0135 -2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1010 4.1036 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8135 4.3807 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0775 4.1733 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9722 3.0803 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9196 5.1680 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6240 6.3168 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2849 5.5100 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5827 4.9179 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8540 2.7840 2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4097 3.4556 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4995 4.3490 3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 1.1027 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3392 2.5460 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 2.5989 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0756 3.1505 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2227 0.4397 3.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5453 1.3135 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0758 -0.4092 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
33 36 1 6
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 2 0
39 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
48 51 1 6
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
56 58 1 0
54 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
62 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
29 69 1 0
69 70 1 0
69 71 1 0
17 12 1 0
25 20 1 0
1 72 1 0
1 73 1 0
1 74 1 0
2 75 1 0
2 76 1 0
3 77 1 0
3 78 1 0
4 79 1 0
4 80 1 0
5 81 1 0
5 82 1 0
6 83 1 0
6 84 1 0
7 85 1 0
7 86 1 0
8 87 1 0
8 88 1 0
9 89 1 0
9 90 1 0
13 91 1 0
13 92 1 0
14 93 1 6
15 94 1 0
16 95 1 0
16 96 1 0
17 97 1 1
21 98 1 0
21 99 1 0
22100 1 1
23101 1 0
24102 1 0
24103 1 0
25104 1 6
28105 1 0
29106 1 1
32107 1 0
34108 1 0
34109 1 0
34110 1 0
35111 1 0
35112 1 0
35113 1 0
38114 1 0
39115 1 6
40116 1 0
40117 1 0
41118 1 0
41119 1 0
43120 1 0
43121 1 0
47122 1 0
49123 1 0
49124 1 0
49125 1 0
50126 1 0
50127 1 0
50128 1 0
53129 1 0
54130 1 6
55131 1 0
55132 1 0
56133 1 1
57134 1 0
57135 1 0
57136 1 0
58137 1 0
58138 1 0
58139 1 0
61140 1 0
62141 1 1
63142 1 0
63143 1 0
64144 1 0
64145 1 0
65146 1 0
65147 1 0
66148 1 1
67149 1 0
67150 1 0
67151 1 0
68152 1 0
68153 1 0
68154 1 0
69155 1 1
70156 1 0
70157 1 0
70158 1 0
71159 1 0
71160 1 0
71161 1 0
M END
PDB for NP0005660 (Cicadapeptin I)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 16.025 3.930 1.255 0.00 0.00 C+0 HETATM 2 C UNK 0 16.942 3.004 0.534 0.00 0.00 C+0 HETATM 3 C UNK 0 16.578 1.586 0.720 0.00 0.00 C+0 HETATM 4 C UNK 0 15.270 1.097 0.222 0.00 0.00 C+0 HETATM 5 C UNK 0 14.034 1.688 0.764 0.00 0.00 C+0 HETATM 6 C UNK 0 12.811 1.048 0.046 0.00 0.00 C+0 HETATM 7 C UNK 0 12.815 -0.401 0.253 0.00 0.00 C+0 HETATM 8 C UNK 0 11.790 -1.272 -0.320 0.00 0.00 C+0 HETATM 9 C UNK 0 10.380 -1.256 -0.016 0.00 0.00 C+0 HETATM 10 C UNK 0 9.530 -0.111 -0.255 0.00 0.00 C+0 HETATM 11 O UNK 0 9.565 0.931 0.426 0.00 0.00 O+0 HETATM 12 N UNK 0 8.588 -0.178 -1.321 0.00 0.00 N+0 HETATM 13 C UNK 0 8.396 -1.228 -2.330 0.00 0.00 C+0 HETATM 14 C UNK 0 8.371 -0.344 -3.608 0.00 0.00 C+0 HETATM 15 O UNK 0 9.654 -0.361 -4.098 0.00 0.00 O+0 HETATM 16 C UNK 0 8.010 1.039 -3.147 0.00 0.00 C+0 HETATM 17 C UNK 0 7.596 0.790 -1.676 0.00 0.00 C+0 HETATM 18 C UNK 0 6.251 0.218 -1.651 0.00 0.00 C+0 HETATM 19 O UNK 0 5.461 0.730 -2.571 0.00 0.00 O+0 HETATM 20 N UNK 0 5.717 -0.758 -0.816 0.00 0.00 N+0 HETATM 21 C UNK 0 6.208 -1.464 0.331 0.00 0.00 C+0 HETATM 22 C UNK 0 5.887 -2.917 0.058 0.00 0.00 C+0 HETATM 23 O UNK 0 7.049 -3.538 -0.408 0.00 0.00 O+0 HETATM 24 C UNK 0 4.808 -2.862 -1.000 0.00 0.00 C+0 HETATM 25 C UNK 0 4.375 -1.383 -1.003 0.00 0.00 C+0 HETATM 26 C UNK 0 3.498 -1.151 0.151 0.00 0.00 C+0 HETATM 27 O UNK 0 2.654 -2.067 0.417 0.00 0.00 O+0 HETATM 28 N UNK 0 3.524 -0.011 0.966 0.00 0.00 N+0 HETATM 29 C UNK 0 2.630 0.096 2.099 0.00 0.00 C+0 HETATM 30 C UNK 0 1.254 0.554 1.649 0.00 0.00 C+0 HETATM 31 O UNK 0 1.141 0.922 0.481 0.00 0.00 O+0 HETATM 32 N UNK 0 0.193 0.525 2.588 0.00 0.00 N+0 HETATM 33 C UNK 0 -1.173 0.892 2.318 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.043 0.697 3.560 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.276 2.387 1.996 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.764 0.164 1.210 0.00 0.00 C+0 HETATM 37 O UNK 0 -1.147 0.010 0.125 0.00 0.00 O+0 HETATM 38 N UNK 0 -3.075 -0.443 1.236 0.00 0.00 N+0 HETATM 39 C UNK 0 -3.583 -1.150 0.031 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.821 -2.414 -0.182 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.115 -3.154 -1.446 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.329 -4.435 -1.519 0.00 0.00 C+0 HETATM 43 N UNK 0 -2.449 -5.363 -2.575 0.00 0.00 N+0 HETATM 44 O UNK 0 -1.533 -4.668 -0.582 0.00 0.00 O+0 HETATM 45 C UNK 0 -5.027 -1.313 0.295 0.00 0.00 C+0 HETATM 46 O UNK 0 -5.652 -0.257 0.706 0.00 0.00 O+0 HETATM 47 N UNK 0 -5.815 -2.459 0.170 0.00 0.00 N+0 HETATM 48 C UNK 0 -7.233 -2.431 0.469 0.00 0.00 C+0 HETATM 49 C UNK 0 -7.827 -3.835 0.256 0.00 0.00 C+0 HETATM 50 C UNK 0 -7.398 -2.017 1.910 0.00 0.00 C+0 HETATM 51 C UNK 0 -7.918 -1.509 -0.461 0.00 0.00 C+0 HETATM 52 O UNK 0 -7.216 -0.875 -1.288 0.00 0.00 O+0 HETATM 53 N UNK 0 -9.336 -1.353 -0.410 0.00 0.00 N+0 HETATM 54 C UNK 0 -9.978 -0.450 -1.298 0.00 0.00 C+0 HETATM 55 C UNK 0 -10.611 -1.079 -2.523 0.00 0.00 C+0 HETATM 56 C UNK 0 -11.671 -2.079 -2.147 0.00 0.00 C+0 HETATM 57 C UNK 0 -12.227 -2.588 -3.499 0.00 0.00 C+0 HETATM 58 C UNK 0 -11.097 -3.297 -1.468 0.00 0.00 C+0 HETATM 59 C UNK 0 -10.995 0.377 -0.638 0.00 0.00 C+0 HETATM 60 O UNK 0 -11.581 -0.080 0.377 0.00 0.00 O+0 HETATM 61 N UNK 0 -11.307 1.655 -1.126 0.00 0.00 N+0 HETATM 62 C UNK 0 -12.341 2.493 -0.460 0.00 0.00 C+0 HETATM 63 C UNK 0 -13.210 2.962 -1.571 0.00 0.00 C+0 HETATM 64 N UNK 0 -12.496 3.736 -2.572 0.00 0.00 N+0 HETATM 65 C UNK 0 -11.682 3.533 0.371 0.00 0.00 C+0 HETATM 66 C UNK 0 -12.566 4.451 1.150 0.00 0.00 C+0 HETATM 67 C UNK 0 -13.519 5.295 0.388 0.00 0.00 C+0 HETATM 68 C UNK 0 -13.380 3.693 2.192 0.00 0.00 C+0 HETATM 69 C UNK 0 3.109 1.031 3.145 0.00 0.00 C+0 HETATM 70 C UNK 0 3.279 2.441 2.612 0.00 0.00 C+0 HETATM 71 C UNK 0 4.340 0.564 3.870 0.00 0.00 C+0 HETATM 72 H UNK 0 16.685 4.731 1.735 0.00 0.00 H+0 HETATM 73 H UNK 0 15.467 3.484 2.087 0.00 0.00 H+0 HETATM 74 H UNK 0 15.369 4.542 0.591 0.00 0.00 H+0 HETATM 75 H UNK 0 17.988 3.161 0.952 0.00 0.00 H+0 HETATM 76 H UNK 0 17.072 3.285 -0.543 0.00 0.00 H+0 HETATM 77 H UNK 0 16.691 1.265 1.807 0.00 0.00 H+0 HETATM 78 H UNK 0 17.363 0.945 0.192 0.00 0.00 H+0 HETATM 79 H UNK 0 15.253 -0.008 0.566 0.00 0.00 H+0 HETATM 80 H UNK 0 15.207 1.072 -0.888 0.00 0.00 H+0 HETATM 81 H UNK 0 13.910 1.600 1.852 0.00 0.00 H+0 HETATM 82 H UNK 0 13.900 2.771 0.511 0.00 0.00 H+0 HETATM 83 H UNK 0 12.913 1.305 -1.035 0.00 0.00 H+0 HETATM 84 H UNK 0 11.977 1.635 0.419 0.00 0.00 H+0 HETATM 85 H UNK 0 13.796 -0.772 -0.249 0.00 0.00 H+0 HETATM 86 H UNK 0 12.950 -0.674 1.337 0.00 0.00 H+0 HETATM 87 H UNK 0 11.917 -1.336 -1.476 0.00 0.00 H+0 HETATM 88 H UNK 0 12.146 -2.358 -0.076 0.00 0.00 H+0 HETATM 89 H UNK 0 9.902 -2.154 -0.525 0.00 0.00 H+0 HETATM 90 H UNK 0 10.274 -1.587 1.098 0.00 0.00 H+0 HETATM 91 H UNK 0 7.377 -1.602 -2.254 0.00 0.00 H+0 HETATM 92 H UNK 0 9.205 -1.947 -2.385 0.00 0.00 H+0 HETATM 93 H UNK 0 7.642 -0.755 -4.340 0.00 0.00 H+0 HETATM 94 H UNK 0 10.224 0.211 -3.521 0.00 0.00 H+0 HETATM 95 H UNK 0 8.856 1.730 -3.167 0.00 0.00 H+0 HETATM 96 H UNK 0 7.104 1.377 -3.682 0.00 0.00 H+0 HETATM 97 H UNK 0 7.685 1.736 -1.101 0.00 0.00 H+0 HETATM 98 H UNK 0 5.556 -1.189 1.233 0.00 0.00 H+0 HETATM 99 H UNK 0 7.253 -1.313 0.591 0.00 0.00 H+0 HETATM 100 H UNK 0 5.515 -3.425 0.981 0.00 0.00 H+0 HETATM 101 H UNK 0 7.721 -3.428 0.319 0.00 0.00 H+0 HETATM 102 H UNK 0 3.989 -3.515 -0.681 0.00 0.00 H+0 HETATM 103 H UNK 0 5.208 -3.161 -1.969 0.00 0.00 H+0 HETATM 104 H UNK 0 3.990 -1.105 -1.974 0.00 0.00 H+0 HETATM 105 H UNK 0 4.196 0.758 0.744 0.00 0.00 H+0 HETATM 106 H UNK 0 2.461 -0.937 2.478 0.00 0.00 H+0 HETATM 107 H UNK 0 0.439 0.201 3.579 0.00 0.00 H+0 HETATM 108 H UNK 0 -1.593 1.145 4.451 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.390 -0.341 3.670 0.00 0.00 H+0 HETATM 110 H UNK 0 -2.972 1.310 3.356 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.323 2.679 1.784 0.00 0.00 H+0 HETATM 112 H UNK 0 -0.633 2.703 1.181 0.00 0.00 H+0 HETATM 113 H UNK 0 -0.979 2.953 2.919 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.651 -0.386 2.077 0.00 0.00 H+0 HETATM 115 H UNK 0 -3.313 -0.491 -0.817 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.710 -2.239 -0.101 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.035 -3.125 0.664 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.133 -3.363 -1.717 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.639 -2.551 -2.310 0.00 0.00 H+0 HETATM 120 H UNK 0 -2.149 -6.334 -2.442 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.847 -5.048 -3.490 0.00 0.00 H+0 HETATM 122 H UNK 0 -5.374 -3.380 -0.102 0.00 0.00 H+0 HETATM 123 H UNK 0 -7.254 -4.591 0.792 0.00 0.00 H+0 HETATM 124 H UNK 0 -8.891 -3.795 0.557 0.00 0.00 H+0 HETATM 125 H UNK 0 -7.808 -4.057 -0.843 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.840 -1.014 2.038 0.00 0.00 H+0 HETATM 127 H UNK 0 -6.431 -2.068 2.447 0.00 0.00 H+0 HETATM 128 H UNK 0 -8.057 -2.765 2.401 0.00 0.00 H+0 HETATM 129 H UNK 0 -9.865 -1.889 0.292 0.00 0.00 H+0 HETATM 130 H UNK 0 -9.185 0.250 -1.711 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.847 -1.587 -3.151 0.00 0.00 H+0 HETATM 132 H UNK 0 -11.025 -0.246 -3.110 0.00 0.00 H+0 HETATM 133 H UNK 0 -12.481 -1.636 -1.546 0.00 0.00 H+0 HETATM 134 H UNK 0 -12.447 -1.693 -4.103 0.00 0.00 H+0 HETATM 135 H UNK 0 -11.351 -3.084 -3.987 0.00 0.00 H+0 HETATM 136 H UNK 0 -13.084 -3.267 -3.349 0.00 0.00 H+0 HETATM 137 H UNK 0 -10.001 -3.315 -1.576 0.00 0.00 H+0 HETATM 138 H UNK 0 -11.447 -4.205 -2.048 0.00 0.00 H+0 HETATM 139 H UNK 0 -11.458 -3.433 -0.424 0.00 0.00 H+0 HETATM 140 H UNK 0 -10.868 2.112 -1.952 0.00 0.00 H+0 HETATM 141 H UNK 0 -12.902 1.801 0.192 0.00 0.00 H+0 HETATM 142 H UNK 0 -14.157 3.421 -1.317 0.00 0.00 H+0 HETATM 143 H UNK 0 -13.506 2.014 -2.140 0.00 0.00 H+0 HETATM 144 H UNK 0 -13.101 4.104 -3.310 0.00 0.00 H+0 HETATM 145 H UNK 0 -11.813 4.381 -2.170 0.00 0.00 H+0 HETATM 146 H UNK 0 -11.078 4.173 -0.325 0.00 0.00 H+0 HETATM 147 H UNK 0 -10.972 3.080 1.125 0.00 0.00 H+0 HETATM 148 H UNK 0 -11.920 5.168 1.755 0.00 0.00 H+0 HETATM 149 H UNK 0 -13.624 6.317 0.877 0.00 0.00 H+0 HETATM 150 H UNK 0 -13.285 5.510 -0.646 0.00 0.00 H+0 HETATM 151 H UNK 0 -14.583 4.918 0.430 0.00 0.00 H+0 HETATM 152 H UNK 0 -12.854 2.784 2.538 0.00 0.00 H+0 HETATM 153 H UNK 0 -14.410 3.456 1.831 0.00 0.00 H+0 HETATM 154 H UNK 0 -13.499 4.349 3.074 0.00 0.00 H+0 HETATM 155 H UNK 0 2.298 1.103 3.926 0.00 0.00 H+0 HETATM 156 H UNK 0 4.339 2.546 2.299 0.00 0.00 H+0 HETATM 157 H UNK 0 2.686 2.599 1.692 0.00 0.00 H+0 HETATM 158 H UNK 0 3.076 3.151 3.409 0.00 0.00 H+0 HETATM 159 H UNK 0 5.223 0.440 3.221 0.00 0.00 H+0 HETATM 160 H UNK 0 4.545 1.313 4.679 0.00 0.00 H+0 HETATM 161 H UNK 0 4.076 -0.409 4.354 0.00 0.00 H+0 CONECT 1 2 72 73 74 CONECT 2 1 3 75 76 CONECT 3 2 4 77 78 CONECT 4 3 5 79 80 CONECT 5 4 6 81 82 CONECT 6 5 7 83 84 CONECT 7 6 8 85 86 CONECT 8 7 9 87 88 CONECT 9 8 10 89 90 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 17 CONECT 13 12 14 91 92 CONECT 14 13 15 16 93 CONECT 15 14 94 CONECT 16 14 17 95 96 CONECT 17 16 18 12 97 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 25 CONECT 21 20 22 98 99 CONECT 22 21 23 24 100 CONECT 23 22 101 CONECT 24 22 25 102 103 CONECT 25 24 26 20 104 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 105 CONECT 29 28 30 69 106 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 107 CONECT 33 32 34 35 36 CONECT 34 33 108 109 110 CONECT 35 33 111 112 113 CONECT 36 33 37 38 CONECT 37 36 CONECT 38 36 39 114 CONECT 39 38 40 45 115 CONECT 40 39 41 116 117 CONECT 41 40 42 118 119 CONECT 42 41 43 44 CONECT 43 42 120 121 CONECT 44 42 CONECT 45 39 46 47 CONECT 46 45 CONECT 47 45 48 122 CONECT 48 47 49 50 51 CONECT 49 48 123 124 125 CONECT 50 48 126 127 128 CONECT 51 48 52 53 CONECT 52 51 CONECT 53 51 54 129 CONECT 54 53 55 59 130 CONECT 55 54 56 131 132 CONECT 56 55 57 58 133 CONECT 57 56 134 135 136 CONECT 58 56 137 138 139 CONECT 59 54 60 61 CONECT 60 59 CONECT 61 59 62 140 CONECT 62 61 63 65 141 CONECT 63 62 64 142 143 CONECT 64 63 144 145 CONECT 65 62 66 146 147 CONECT 66 65 67 68 148 CONECT 67 66 149 150 151 CONECT 68 66 152 153 154 CONECT 69 29 70 71 155 CONECT 70 69 156 157 158 CONECT 71 69 159 160 161 CONECT 72 1 CONECT 73 1 CONECT 74 1 CONECT 75 2 CONECT 76 2 CONECT 77 3 CONECT 78 3 CONECT 79 4 CONECT 80 4 CONECT 81 5 CONECT 82 5 CONECT 83 6 CONECT 84 6 CONECT 85 7 CONECT 86 7 CONECT 87 8 CONECT 88 8 CONECT 89 9 CONECT 90 9 CONECT 91 13 CONECT 92 13 CONECT 93 14 CONECT 94 15 CONECT 95 16 CONECT 96 16 CONECT 97 17 CONECT 98 21 CONECT 99 21 CONECT 100 22 CONECT 101 23 CONECT 102 24 CONECT 103 24 CONECT 104 25 CONECT 105 28 CONECT 106 29 CONECT 107 32 CONECT 108 34 CONECT 109 34 CONECT 110 34 CONECT 111 35 CONECT 112 35 CONECT 113 35 CONECT 114 38 CONECT 115 39 CONECT 116 40 CONECT 117 40 CONECT 118 41 CONECT 119 41 CONECT 120 43 CONECT 121 43 CONECT 122 47 CONECT 123 49 CONECT 124 49 CONECT 125 49 CONECT 126 50 CONECT 127 50 CONECT 128 50 CONECT 129 53 CONECT 130 54 CONECT 131 55 CONECT 132 55 CONECT 133 56 CONECT 134 57 CONECT 135 57 CONECT 136 57 CONECT 137 58 CONECT 138 58 CONECT 139 58 CONECT 140 61 CONECT 141 62 CONECT 142 63 CONECT 143 63 CONECT 144 64 CONECT 145 64 CONECT 146 65 CONECT 147 65 CONECT 148 66 CONECT 149 67 CONECT 150 67 CONECT 151 67 CONECT 152 68 CONECT 153 68 CONECT 154 68 CONECT 155 69 CONECT 156 70 CONECT 157 70 CONECT 158 70 CONECT 159 71 CONECT 160 71 CONECT 161 71 MASTER 0 0 0 0 0 0 0 0 161 0 324 0 END SMILES for NP0005660 (Cicadapeptin I)[H]O[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(C(=O)N2C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]2([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H] INCHI for NP0005660 (Cicadapeptin I)InChI=1S/C50H90N10O11/c1-12-13-14-15-16-17-18-19-40(64)59-27-34(62)25-38(59)46(69)60-28-33(61)24-37(60)44(67)56-41(31(6)7)45(68)58-50(10,11)47(70)54-35(20-21-39(52)63)43(66)57-49(8,9)48(71)55-36(23-30(4)5)42(65)53-32(26-51)22-29(2)3/h29-38,41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,65)(H,54,70)(H,55,71)(H,56,67)(H,57,66)(H,58,68)/t32-,33+,34+,35-,36-,37-,38-,41-/m0/s1 3D Structure for NP0005660 (Cicadapeptin I) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C50H90N10O11 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1007.3290 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1006.67905 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-N-(1-{[(1S)-1-{[(2S)-1-amino-4-methylpentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-1-methylethyl)-2-{2-[(2S)-2-{[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}pentanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-N-(1-{[(1S)-1-{[(2S)-1-amino-4-methylpentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-1-methylethyl)-2-{2-[(2S)-2-{[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}pentanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN)CC(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C50H90N10O11/c1-12-13-14-15-16-17-18-19-40(64)59-27-34(62)25-38(59)46(69)60-28-33(61)24-37(60)44(67)56-41(31(6)7)45(68)58-50(10,11)47(70)54-35(20-21-39(52)63)43(66)57-49(8,9)48(71)55-36(23-30(4)5)42(65)53-32(26-51)22-29(2)3/h29-38,41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,65)(H,54,70)(H,55,71)(H,56,67)(H,57,66)(H,58,68)/t32-,33+,34+,35-,36-,37-,38-,41-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | NVJOHXLMVTYSFU-DSBHZGLUSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Species Where Detected |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Carboxylic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Amino acids, peptides, and analogues | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Oligopeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA008995 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | C00042387 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 9575346 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 11400450 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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