Showing NP-Card for Tripropeptin Z (NP0004047)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 01:33:17 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:48:05 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0004047 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Tripropeptin Z | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Tripropeptin Z is found in Lysobacter sp. Based on a literature review very few articles have been published on 2-[10-(3-carbamimidamidopropyl)-25-[carboxy(hydroxy)methyl]-8,11,14,21,23,30-hexahydroxy-32-(1-hydroxyethyl)-16-(hydroxymethyl)-28-(7-methyloctyl)-2,17,26,33-tetraoxo-27-oxa-3,9,12,15,18,24,31,34-octaazatetracyclo[32.3.0.0³,⁷.0¹⁸,²²]Heptatriaconta-8,11,14,23,30-pentaen-13-yl]-2-hydroxyacetic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0004047 (Tripropeptin Z)
Mrv1652307012117503D
155158 0 0 0 0 999 V2000
-11.8786 0.4172 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8439 0.0389 0.3482 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6073 -1.4332 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8238 0.8212 1.1250 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4045 0.6128 0.5990 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4579 1.4336 1.4225 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0458 1.2796 0.9223 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5682 -0.1144 0.9978 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1803 -0.3832 0.4976 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0998 0.3705 1.1765 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7769 -0.1173 0.5583 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4645 -1.4533 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1954 -1.7454 2.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 -2.4244 0.7407 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4819 -3.3783 -0.3240 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7168 -3.5803 -1.1609 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0247 -2.3731 -2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -4.6102 -2.1259 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -4.7343 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -5.1716 1.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0311 -5.4770 -0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1083 -6.9480 -0.0335 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4539 -7.2216 -0.6141 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7550 -5.9339 -1.3714 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2421 -4.8949 -0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1076 -4.8425 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6384 -5.2623 1.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 -4.3578 0.8596 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 -4.7833 1.5505 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6379 -4.7522 0.3849 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0619 -3.7585 -0.5888 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8835 -3.1747 0.1073 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1899 -2.1501 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2045 -1.8116 1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 -1.5146 1.3779 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2058 -0.7570 0.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6470 -1.2345 0.3890 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4831 -0.5125 -0.6113 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9054 -1.0342 -0.5617 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4563 -0.8176 0.7534 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5857 -0.2498 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9646 -0.1239 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4632 0.2505 -0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2598 0.6896 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2884 1.1283 1.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2391 1.6136 0.6168 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4735 1.8087 -0.5975 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0617 3.0049 -1.2548 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9983 4.1005 -0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5064 2.7074 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 1.7165 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5523 3.4134 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 1.7709 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 1.0381 0.6996 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9390 2.3358 -0.9771 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 3.6538 -1.1788 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0632 4.4854 -2.2509 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9128 3.8656 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4204 4.5058 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 5.4658 0.2137 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 4.2466 1.1079 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 4.1967 2.5580 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5518 4.9022 3.0787 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6364 4.4192 2.1654 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4721 5.5054 1.9219 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 3.9548 0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5212 4.7200 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 5.8052 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6533 4.2568 -0.8876 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1613 2.8793 -0.7238 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8394 2.5213 -2.0529 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7823 2.6212 -2.9961 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8143 3.5826 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6066 4.3843 -3.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9826 3.7355 -1.6573 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0550 2.7801 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7636 3.8313 0.6566 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.7302 1.2309 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8418 1.5174 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8586 0.0658 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0942 -0.1040 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8328 0.2699 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4603 -1.6530 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5382 -1.9562 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7333 -1.7905 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8746 0.4785 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0556 1.9019 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3119 0.8096 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1478 -0.4719 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7251 2.5268 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4617 1.1486 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8738 1.6937 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4433 1.9215 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6699 -0.4298 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2613 -0.8094 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9839 -1.4915 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2106 -0.1487 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0662 -0.0060 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 0.6035 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8334 -0.0399 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 -2.5231 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6490 -3.1580 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5931 -3.9256 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9091 -1.8434 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -1.6694 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3645 -2.7270 -3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 -5.3674 -2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -7.3121 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 -7.4297 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 -7.3529 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 -8.1039 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -5.8900 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 -5.8877 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2028 -3.8946 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9155 -3.9934 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5533 -5.7698 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6006 -4.4204 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7030 -5.7803 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6452 -4.3686 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7631 -3.0741 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 -2.8532 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8437 -1.5580 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7511 -0.7299 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6346 -2.3304 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0971 -1.1271 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0619 -0.6387 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4942 0.5610 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9243 -2.1425 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5003 -0.4922 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1995 -0.9275 2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0146 0.8262 2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4506 -0.0670 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1164 0.9945 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9822 2.2555 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7999 0.9347 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 3.2052 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4643 3.9199 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4842 4.0829 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2719 1.5998 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3486 3.6087 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 4.9209 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3745 5.3899 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5616 4.2257 -4.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 3.1478 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 4.7223 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4644 6.0045 3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 4.5169 4.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 3.6355 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 6.3705 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 2.8667 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1907 4.8684 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 2.2412 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2764 1.5242 -2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 3.5740 -3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8896 3.8551 -2.0651 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
2 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 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 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 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 3 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 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
50 51 2 0 0 0 0
50 52 1 0 0 0 0
47 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
56 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
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
70 76 1 0 0 0 0
76 77 2 0 0 0 0
76 78 1 0 0 0 0
78 10 1 0 0 0 0
25 21 1 0 0 0 0
32 28 1 0 0 0 0
66 61 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
1 81 1 0 0 0 0
2 82 1 1 0 0 0
3 83 1 0 0 0 0
3 84 1 0 0 0 0
3 85 1 0 0 0 0
4 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
5 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
8 94 1 0 0 0 0
8 95 1 0 0 0 0
9 96 1 0 0 0 0
9 97 1 0 0 0 0
10 98 1 1 0 0 0
11 99 1 0 0 0 0
11100 1 0 0 0 0
14101 1 0 0 0 0
15102 1 6 0 0 0
16103 1 1 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
18107 1 0 0 0 0
22108 1 0 0 0 0
22109 1 0 0 0 0
23110 1 0 0 0 0
23111 1 0 0 0 0
24112 1 0 0 0 0
24113 1 0 0 0 0
25114 1 6 0 0 0
29115 1 0 0 0 0
29116 1 0 0 0 0
30117 1 0 0 0 0
30118 1 0 0 0 0
31119 1 0 0 0 0
31120 1 0 0 0 0
32121 1 6 0 0 0
35122 1 0 0 0 0
36123 1 6 0 0 0
37124 1 0 0 0 0
37125 1 0 0 0 0
38126 1 0 0 0 0
38127 1 0 0 0 0
39128 1 0 0 0 0
39129 1 0 0 0 0
42130 1 0 0 0 0
42131 1 0 0 0 0
43132 1 0 0 0 0
43133 1 0 0 0 0
46134 1 0 0 0 0
47135 1 6 0 0 0
48136 1 6 0 0 0
49137 1 0 0 0 0
52138 1 0 0 0 0
55139 1 0 0 0 0
56140 1 6 0 0 0
57141 1 0 0 0 0
57142 1 0 0 0 0
58143 1 0 0 0 0
62144 1 0 0 0 0
62145 1 0 0 0 0
63146 1 0 0 0 0
63147 1 0 0 0 0
64148 1 1 0 0 0
65149 1 0 0 0 0
66150 1 6 0 0 0
69151 1 0 0 0 0
70152 1 1 0 0 0
71153 1 1 0 0 0
72154 1 0 0 0 0
75155 1 0 0 0 0
M END
3D MOL for NP0004047 (Tripropeptin Z)
RDKit 3D
155158 0 0 0 0 0 0 0 0999 V2000
-11.8786 0.4172 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8439 0.0389 0.3482 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6073 -1.4332 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8238 0.8212 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4045 0.6128 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4579 1.4336 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0458 1.2796 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5682 -0.1144 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1803 -0.3832 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0998 0.3705 1.1765 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7769 -0.1173 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 -1.4533 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1954 -1.7454 2.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 -2.4244 0.7407 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4819 -3.3783 -0.3240 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7168 -3.5803 -1.1609 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0247 -2.3731 -2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -4.6102 -2.1259 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -4.7343 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -5.1716 1.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0311 -5.4770 -0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1083 -6.9480 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4539 -7.2216 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7550 -5.9339 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2421 -4.8949 -0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1076 -4.8425 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6384 -5.2623 1.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 -4.3578 0.8596 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 -4.7833 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6379 -4.7522 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0619 -3.7585 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8835 -3.1747 0.1073 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1899 -2.1501 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2045 -1.8116 1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 -1.5146 1.3779 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2058 -0.7570 0.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6470 -1.2345 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4831 -0.5125 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9054 -1.0342 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4563 -0.8176 0.7534 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5857 -0.2498 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9646 -0.1239 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4632 0.2505 -0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2598 0.6896 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2884 1.1283 1.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2391 1.6136 0.6168 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4735 1.8087 -0.5975 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0617 3.0049 -1.2548 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9983 4.1005 -0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5064 2.7074 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 1.7165 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5523 3.4134 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 1.7709 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 1.0381 0.6996 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9390 2.3358 -0.9771 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 3.6538 -1.1788 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0632 4.4854 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9128 3.8656 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4204 4.5058 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 5.4658 0.2137 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 4.2466 1.1079 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 4.1967 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5518 4.9022 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 4.4192 2.1654 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4721 5.5054 1.9219 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 3.9548 0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5212 4.7200 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 5.8052 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6533 4.2568 -0.8876 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1613 2.8793 -0.7238 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8394 2.5213 -2.0529 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7823 2.6212 -2.9961 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8143 3.5826 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6066 4.3843 -3.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9826 3.7355 -1.6573 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0550 2.7801 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7636 3.8313 0.6566 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.7302 1.2309 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8418 1.5174 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8586 0.0658 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0942 -0.1040 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8328 0.2699 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4603 -1.6530 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5382 -1.9562 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7333 -1.7905 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8746 0.4785 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0556 1.9019 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3119 0.8096 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1478 -0.4719 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7251 2.5268 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4617 1.1486 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8738 1.6937 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4433 1.9215 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6699 -0.4298 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2613 -0.8094 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9839 -1.4915 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2106 -0.1487 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0662 -0.0060 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 0.6035 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8334 -0.0399 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 -2.5231 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6490 -3.1580 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5931 -3.9256 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9091 -1.8434 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -1.6694 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3645 -2.7270 -3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 -5.3674 -2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -7.3121 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 -7.4297 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 -7.3529 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 -8.1039 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -5.8900 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 -5.8877 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2028 -3.8946 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9155 -3.9934 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5533 -5.7698 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6006 -4.4204 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7030 -5.7803 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6452 -4.3686 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7631 -3.0741 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 -2.8532 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8437 -1.5580 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7511 -0.7299 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6346 -2.3304 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0971 -1.1271 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0619 -0.6387 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4942 0.5610 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9243 -2.1425 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5003 -0.4922 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1995 -0.9275 2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0146 0.8262 2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4506 -0.0670 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1164 0.9945 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9822 2.2555 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7999 0.9347 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 3.2052 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4643 3.9199 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4842 4.0829 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2719 1.5998 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3486 3.6087 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 4.9209 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3745 5.3899 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5616 4.2257 -4.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 3.1478 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 4.7223 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4644 6.0045 3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 4.5169 4.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 3.6355 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 6.3705 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 2.8667 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1907 4.8684 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 2.2412 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2764 1.5242 -2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 3.5740 -3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8896 3.8551 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 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 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
15 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
23 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 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 2 3
41 42 1 0
41 43 1 0
36 44 1 0
44 45 2 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
50 51 2 0
50 52 1 0
47 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
56 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 1 0
66 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
71 73 1 0
73 74 2 0
73 75 1 0
70 76 1 0
76 77 2 0
76 78 1 0
78 10 1 0
25 21 1 0
32 28 1 0
66 61 1 0
1 79 1 0
1 80 1 0
1 81 1 0
2 82 1 1
3 83 1 0
3 84 1 0
3 85 1 0
4 86 1 0
4 87 1 0
5 88 1 0
5 89 1 0
6 90 1 0
6 91 1 0
7 92 1 0
7 93 1 0
8 94 1 0
8 95 1 0
9 96 1 0
9 97 1 0
10 98 1 1
11 99 1 0
11100 1 0
14101 1 0
15102 1 6
16103 1 1
17104 1 0
17105 1 0
17106 1 0
18107 1 0
22108 1 0
22109 1 0
23110 1 0
23111 1 0
24112 1 0
24113 1 0
25114 1 6
29115 1 0
29116 1 0
30117 1 0
30118 1 0
31119 1 0
31120 1 0
32121 1 6
35122 1 0
36123 1 6
37124 1 0
37125 1 0
38126 1 0
38127 1 0
39128 1 0
39129 1 0
42130 1 0
42131 1 0
43132 1 0
43133 1 0
46134 1 0
47135 1 6
48136 1 6
49137 1 0
52138 1 0
55139 1 0
56140 1 6
57141 1 0
57142 1 0
58143 1 0
62144 1 0
62145 1 0
63146 1 0
63147 1 0
64148 1 1
65149 1 0
66150 1 6
69151 1 0
70152 1 1
71153 1 1
72154 1 0
75155 1 0
M END
3D SDF for NP0004047 (Tripropeptin Z)
Mrv1652307012117503D
155158 0 0 0 0 999 V2000
-11.8786 0.4172 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8439 0.0389 0.3482 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6073 -1.4332 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8238 0.8212 1.1250 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4045 0.6128 0.5990 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4579 1.4336 1.4225 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0458 1.2796 0.9223 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5682 -0.1144 0.9978 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1803 -0.3832 0.4976 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0998 0.3705 1.1765 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7769 -0.1173 0.5583 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4645 -1.4533 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1954 -1.7454 2.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 -2.4244 0.7407 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4819 -3.3783 -0.3240 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7168 -3.5803 -1.1609 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0247 -2.3731 -2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -4.6102 -2.1259 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -4.7343 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -5.1716 1.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0311 -5.4770 -0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1083 -6.9480 -0.0335 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4539 -7.2216 -0.6141 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7550 -5.9339 -1.3714 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2421 -4.8949 -0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1076 -4.8425 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6384 -5.2623 1.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 -4.3578 0.8596 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 -4.7833 1.5505 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6379 -4.7522 0.3849 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0619 -3.7585 -0.5888 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8835 -3.1747 0.1073 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1899 -2.1501 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2045 -1.8116 1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 -1.5146 1.3779 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2058 -0.7570 0.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6470 -1.2345 0.3890 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4831 -0.5125 -0.6113 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9054 -1.0342 -0.5617 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4563 -0.8176 0.7534 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5857 -0.2498 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9646 -0.1239 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4632 0.2505 -0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2598 0.6896 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2884 1.1283 1.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2391 1.6136 0.6168 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4735 1.8087 -0.5975 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0617 3.0049 -1.2548 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9983 4.1005 -0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5064 2.7074 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 1.7165 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5523 3.4134 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 1.7709 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 1.0381 0.6996 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9390 2.3358 -0.9771 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 3.6538 -1.1788 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0632 4.4854 -2.2509 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9128 3.8656 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4204 4.5058 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 5.4658 0.2137 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 4.2466 1.1079 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 4.1967 2.5580 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5518 4.9022 3.0787 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6364 4.4192 2.1654 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4721 5.5054 1.9219 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 3.9548 0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5212 4.7200 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 5.8052 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6533 4.2568 -0.8876 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1613 2.8793 -0.7238 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8394 2.5213 -2.0529 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7823 2.6212 -2.9961 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8143 3.5826 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6066 4.3843 -3.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9826 3.7355 -1.6573 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0550 2.7801 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7636 3.8313 0.6566 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.7302 1.2309 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8418 1.5174 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8586 0.0658 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0942 -0.1040 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8328 0.2699 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4603 -1.6530 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5382 -1.9562 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7333 -1.7905 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8746 0.4785 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0556 1.9019 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3119 0.8096 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1478 -0.4719 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7251 2.5268 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4617 1.1486 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8738 1.6937 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4433 1.9215 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6699 -0.4298 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2613 -0.8094 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9839 -1.4915 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2106 -0.1487 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0662 -0.0060 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 0.6035 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8334 -0.0399 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 -2.5231 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6490 -3.1580 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5931 -3.9256 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9091 -1.8434 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -1.6694 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3645 -2.7270 -3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 -5.3674 -2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -7.3121 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 -7.4297 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 -7.3529 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 -8.1039 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -5.8900 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 -5.8877 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2028 -3.8946 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9155 -3.9934 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5533 -5.7698 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6006 -4.4204 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7030 -5.7803 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6452 -4.3686 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7631 -3.0741 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 -2.8532 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8437 -1.5580 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7511 -0.7299 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6346 -2.3304 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0971 -1.1271 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0619 -0.6387 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4942 0.5610 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9243 -2.1425 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5003 -0.4922 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1995 -0.9275 2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0146 0.8262 2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4506 -0.0670 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1164 0.9945 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9822 2.2555 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7999 0.9347 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 3.2052 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4643 3.9199 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4842 4.0829 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2719 1.5998 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3486 3.6087 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 4.9209 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3745 5.3899 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5616 4.2257 -4.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 3.1478 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 4.7223 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4644 6.0045 3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 4.5169 4.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 3.6355 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 6.3705 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 2.8667 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1907 4.8684 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 2.2412 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2764 1.5242 -2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 3.5740 -3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8896 3.8551 -2.0651 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
2 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 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 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 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 3 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 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
50 51 2 0 0 0 0
50 52 1 0 0 0 0
47 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
56 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
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
70 76 1 0 0 0 0
76 77 2 0 0 0 0
76 78 1 0 0 0 0
78 10 1 0 0 0 0
25 21 1 0 0 0 0
32 28 1 0 0 0 0
66 61 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
1 81 1 0 0 0 0
2 82 1 1 0 0 0
3 83 1 0 0 0 0
3 84 1 0 0 0 0
3 85 1 0 0 0 0
4 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
5 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
8 94 1 0 0 0 0
8 95 1 0 0 0 0
9 96 1 0 0 0 0
9 97 1 0 0 0 0
10 98 1 1 0 0 0
11 99 1 0 0 0 0
11100 1 0 0 0 0
14101 1 0 0 0 0
15102 1 6 0 0 0
16103 1 1 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
18107 1 0 0 0 0
22108 1 0 0 0 0
22109 1 0 0 0 0
23110 1 0 0 0 0
23111 1 0 0 0 0
24112 1 0 0 0 0
24113 1 0 0 0 0
25114 1 6 0 0 0
29115 1 0 0 0 0
29116 1 0 0 0 0
30117 1 0 0 0 0
30118 1 0 0 0 0
31119 1 0 0 0 0
31120 1 0 0 0 0
32121 1 6 0 0 0
35122 1 0 0 0 0
36123 1 6 0 0 0
37124 1 0 0 0 0
37125 1 0 0 0 0
38126 1 0 0 0 0
38127 1 0 0 0 0
39128 1 0 0 0 0
39129 1 0 0 0 0
42130 1 0 0 0 0
42131 1 0 0 0 0
43132 1 0 0 0 0
43133 1 0 0 0 0
46134 1 0 0 0 0
47135 1 6 0 0 0
48136 1 6 0 0 0
49137 1 0 0 0 0
52138 1 0 0 0 0
55139 1 0 0 0 0
56140 1 6 0 0 0
57141 1 0 0 0 0
57142 1 0 0 0 0
58143 1 0 0 0 0
62144 1 0 0 0 0
62145 1 0 0 0 0
63146 1 0 0 0 0
63147 1 0 0 0 0
64148 1 1 0 0 0
65149 1 0 0 0 0
66150 1 6 0 0 0
69151 1 0 0 0 0
70152 1 1 0 0 0
71153 1 1 0 0 0
72154 1 0 0 0 0
75155 1 0 0 0 0
M END
> <DATABASE_ID>
NP0004047
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]([H])(O[H])[C@@]1([H])N([H])C(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]3([H])N(C(=O)[C@]4([H])N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(OC1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])[C@@]([H])(O[H])C(=O)O[H])C([H])([H])O[H])C([H])([H])C([H])([H])[C@@]2([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C48H77N11O19/c1-23(2)11-6-4-5-7-12-25-21-31(63)54-32(24(3)61)44(72)58-19-10-15-29(58)43(71)57-18-9-14-28(57)39(67)52-26(13-8-17-51-48(49)50)38(66)55-33(36(64)45(73)74)40(68)53-27(22-60)42(70)59-20-16-30(62)35(59)41(69)56-34(47(77)78-25)37(65)46(75)76/h23-30,32-37,60-62,64-65H,4-22H2,1-3H3,(H,52,67)(H,53,68)(H,54,63)(H,55,66)(H,56,69)(H,73,74)(H,75,76)(H4,49,50,51)/t24-,25+,26-,27-,28-,29-,30-,32-,33-,34-,35+,36-,37+/m1/s1
> <INCHI_KEY>
CDGPSUVNLUGBRV-UHFFFAOYSA-N
> <FORMULA>
C48H77N11O19
> <MOLECULAR_WEIGHT>
1112.202
> <EXACT_MASS>
1111.539719303
> <JCHEM_ACCEPTOR_COUNT>
21
> <JCHEM_ATOM_COUNT>
155
> <JCHEM_AVERAGE_POLARIZABILITY>
112.58560548093119
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
14
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-2-[(1R,7R,10R,13R,16R,21R,22S,25R,28S,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-{3-[(diaminomethylidene)amino]propyl}-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(7-methyloctyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octaazatetracyclo[32.3.0.0^{3,7}.0^{18,22}]heptatriacontan-13-yl]-2-hydroxyacetic acid
> <ALOGPS_LOGP>
-1.11
> <JCHEM_LOGP>
-8.130424037432096
> <ALOGPS_LOGS>
-3.17
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
3.403450215073419
> <JCHEM_PKA_STRONGEST_ACIDIC>
2.801325529652574
> <JCHEM_PKA_STRONGEST_BASIC>
10.629561871317858
> <JCHEM_POLAR_SURFACE_AREA>
472.88000000000005
> <JCHEM_REFRACTIVITY>
264.80130000000014
> <JCHEM_ROTATABLE_BOND_COUNT>
17
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
7.51e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(R)-[(1R,7R,10R,13R,16R,21R,22S,25R,28S,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-{3-[(diaminomethylidene)amino]propyl}-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(7-methyloctyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octaazatetracyclo[32.3.0.0^{3,7}.0^{18,22}]heptatriacontan-13-yl](hydroxy)acetic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0004047 (Tripropeptin Z)
RDKit 3D
155158 0 0 0 0 0 0 0 0999 V2000
-11.8786 0.4172 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8439 0.0389 0.3482 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6073 -1.4332 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8238 0.8212 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4045 0.6128 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4579 1.4336 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0458 1.2796 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5682 -0.1144 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1803 -0.3832 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0998 0.3705 1.1765 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7769 -0.1173 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 -1.4533 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1954 -1.7454 2.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 -2.4244 0.7407 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4819 -3.3783 -0.3240 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7168 -3.5803 -1.1609 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0247 -2.3731 -2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -4.6102 -2.1259 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -4.7343 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -5.1716 1.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0311 -5.4770 -0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1083 -6.9480 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4539 -7.2216 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7550 -5.9339 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2421 -4.8949 -0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1076 -4.8425 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6384 -5.2623 1.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 -4.3578 0.8596 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 -4.7833 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6379 -4.7522 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0619 -3.7585 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8835 -3.1747 0.1073 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1899 -2.1501 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2045 -1.8116 1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 -1.5146 1.3779 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2058 -0.7570 0.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6470 -1.2345 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4831 -0.5125 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9054 -1.0342 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4563 -0.8176 0.7534 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5857 -0.2498 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9646 -0.1239 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4632 0.2505 -0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2598 0.6896 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2884 1.1283 1.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2391 1.6136 0.6168 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4735 1.8087 -0.5975 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0617 3.0049 -1.2548 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9983 4.1005 -0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5064 2.7074 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 1.7165 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5523 3.4134 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 1.7709 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 1.0381 0.6996 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9390 2.3358 -0.9771 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 3.6538 -1.1788 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0632 4.4854 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9128 3.8656 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4204 4.5058 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 5.4658 0.2137 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 4.2466 1.1079 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 4.1967 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5518 4.9022 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 4.4192 2.1654 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4721 5.5054 1.9219 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 3.9548 0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5212 4.7200 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 5.8052 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6533 4.2568 -0.8876 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1613 2.8793 -0.7238 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8394 2.5213 -2.0529 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7823 2.6212 -2.9961 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8143 3.5826 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6066 4.3843 -3.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9826 3.7355 -1.6573 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0550 2.7801 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7636 3.8313 0.6566 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.7302 1.2309 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8418 1.5174 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8586 0.0658 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0942 -0.1040 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8328 0.2699 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4603 -1.6530 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5382 -1.9562 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7333 -1.7905 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8746 0.4785 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0556 1.9019 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3119 0.8096 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1478 -0.4719 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7251 2.5268 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4617 1.1486 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8738 1.6937 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4433 1.9215 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6699 -0.4298 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2613 -0.8094 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9839 -1.4915 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2106 -0.1487 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0662 -0.0060 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 0.6035 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8334 -0.0399 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 -2.5231 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6490 -3.1580 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5931 -3.9256 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9091 -1.8434 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -1.6694 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3645 -2.7270 -3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 -5.3674 -2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -7.3121 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 -7.4297 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 -7.3529 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 -8.1039 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -5.8900 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 -5.8877 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2028 -3.8946 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9155 -3.9934 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5533 -5.7698 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6006 -4.4204 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7030 -5.7803 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6452 -4.3686 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7631 -3.0741 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 -2.8532 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8437 -1.5580 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7511 -0.7299 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6346 -2.3304 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0971 -1.1271 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0619 -0.6387 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4942 0.5610 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9243 -2.1425 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5003 -0.4922 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1995 -0.9275 2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0146 0.8262 2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4506 -0.0670 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1164 0.9945 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9822 2.2555 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7999 0.9347 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 3.2052 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4643 3.9199 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4842 4.0829 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2719 1.5998 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3486 3.6087 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 4.9209 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3745 5.3899 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5616 4.2257 -4.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 3.1478 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 4.7223 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4644 6.0045 3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 4.5169 4.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 3.6355 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 6.3705 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 2.8667 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1907 4.8684 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 2.2412 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2764 1.5242 -2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 3.5740 -3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8896 3.8551 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 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 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
15 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
23 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 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 2 3
41 42 1 0
41 43 1 0
36 44 1 0
44 45 2 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
50 51 2 0
50 52 1 0
47 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
56 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 1 0
66 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
71 73 1 0
73 74 2 0
73 75 1 0
70 76 1 0
76 77 2 0
76 78 1 0
78 10 1 0
25 21 1 0
32 28 1 0
66 61 1 0
1 79 1 0
1 80 1 0
1 81 1 0
2 82 1 1
3 83 1 0
3 84 1 0
3 85 1 0
4 86 1 0
4 87 1 0
5 88 1 0
5 89 1 0
6 90 1 0
6 91 1 0
7 92 1 0
7 93 1 0
8 94 1 0
8 95 1 0
9 96 1 0
9 97 1 0
10 98 1 1
11 99 1 0
11100 1 0
14101 1 0
15102 1 6
16103 1 1
17104 1 0
17105 1 0
17106 1 0
18107 1 0
22108 1 0
22109 1 0
23110 1 0
23111 1 0
24112 1 0
24113 1 0
25114 1 6
29115 1 0
29116 1 0
30117 1 0
30118 1 0
31119 1 0
31120 1 0
32121 1 6
35122 1 0
36123 1 6
37124 1 0
37125 1 0
38126 1 0
38127 1 0
39128 1 0
39129 1 0
42130 1 0
42131 1 0
43132 1 0
43133 1 0
46134 1 0
47135 1 6
48136 1 6
49137 1 0
52138 1 0
55139 1 0
56140 1 6
57141 1 0
57142 1 0
58143 1 0
62144 1 0
62145 1 0
63146 1 0
63147 1 0
64148 1 1
65149 1 0
66150 1 6
69151 1 0
70152 1 1
71153 1 1
72154 1 0
75155 1 0
M END
PDB for NP0004047 (Tripropeptin Z)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 -11.879 0.417 -1.112 0.00 0.00 C+0 HETATM 2 C UNK 0 -11.844 0.039 0.348 0.00 0.00 C+0 HETATM 3 C UNK 0 -11.607 -1.433 0.466 0.00 0.00 C+0 HETATM 4 C UNK 0 -10.824 0.821 1.125 0.00 0.00 C+0 HETATM 5 C UNK 0 -9.405 0.613 0.599 0.00 0.00 C+0 HETATM 6 C UNK 0 -8.458 1.434 1.423 0.00 0.00 C+0 HETATM 7 C UNK 0 -7.046 1.280 0.922 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.568 -0.114 0.998 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.180 -0.383 0.498 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.100 0.371 1.177 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.777 -0.117 0.558 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.465 -1.453 1.113 0.00 0.00 C+0 HETATM 13 O UNK 0 -3.195 -1.745 2.165 0.00 0.00 O+0 HETATM 14 N UNK 0 -1.566 -2.424 0.741 0.00 0.00 N+0 HETATM 15 C UNK 0 -1.482 -3.378 -0.324 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.717 -3.580 -1.161 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.025 -2.373 -2.040 0.00 0.00 C+0 HETATM 18 O UNK 0 -2.444 -4.610 -2.126 0.00 0.00 O+0 HETATM 19 C UNK 0 -1.161 -4.734 0.244 0.00 0.00 C+0 HETATM 20 O UNK 0 -2.053 -5.172 1.047 0.00 0.00 O+0 HETATM 21 N UNK 0 -0.031 -5.477 -0.040 0.00 0.00 N+0 HETATM 22 C UNK 0 0.108 -6.948 -0.034 0.00 0.00 C+0 HETATM 23 C UNK 0 1.454 -7.222 -0.614 0.00 0.00 C+0 HETATM 24 C UNK 0 1.755 -5.934 -1.371 0.00 0.00 C+0 HETATM 25 C UNK 0 1.242 -4.895 -0.395 0.00 0.00 C+0 HETATM 26 C UNK 0 2.108 -4.843 0.832 0.00 0.00 C+0 HETATM 27 O UNK 0 1.638 -5.262 1.940 0.00 0.00 O+0 HETATM 28 N UNK 0 3.422 -4.358 0.860 0.00 0.00 N+0 HETATM 29 C UNK 0 4.644 -4.783 1.551 0.00 0.00 C+0 HETATM 30 C UNK 0 5.638 -4.752 0.385 0.00 0.00 C+0 HETATM 31 C UNK 0 5.062 -3.759 -0.589 0.00 0.00 C+0 HETATM 32 C UNK 0 3.884 -3.175 0.107 0.00 0.00 C+0 HETATM 33 C UNK 0 4.190 -2.150 1.127 0.00 0.00 C+0 HETATM 34 O UNK 0 3.204 -1.812 1.865 0.00 0.00 O+0 HETATM 35 N UNK 0 5.419 -1.515 1.378 0.00 0.00 N+0 HETATM 36 C UNK 0 6.206 -0.757 0.399 0.00 0.00 C+0 HETATM 37 C UNK 0 7.647 -1.234 0.389 0.00 0.00 C+0 HETATM 38 C UNK 0 8.483 -0.513 -0.611 0.00 0.00 C+0 HETATM 39 C UNK 0 9.905 -1.034 -0.562 0.00 0.00 C+0 HETATM 40 N UNK 0 10.456 -0.818 0.753 0.00 0.00 N+0 HETATM 41 C UNK 0 11.586 -0.250 0.988 0.00 0.00 C+0 HETATM 42 N UNK 0 11.965 -0.124 2.352 0.00 0.00 N+0 HETATM 43 N UNK 0 12.463 0.251 -0.002 0.00 0.00 N+0 HETATM 44 C UNK 0 6.260 0.690 0.844 0.00 0.00 C+0 HETATM 45 O UNK 0 7.288 1.128 1.471 0.00 0.00 O+0 HETATM 46 N UNK 0 5.239 1.614 0.617 0.00 0.00 N+0 HETATM 47 C UNK 0 4.473 1.809 -0.598 0.00 0.00 C+0 HETATM 48 C UNK 0 5.062 3.005 -1.255 0.00 0.00 C+0 HETATM 49 O UNK 0 4.998 4.101 -0.408 0.00 0.00 O+0 HETATM 50 C UNK 0 6.506 2.707 -1.483 0.00 0.00 C+0 HETATM 51 O UNK 0 6.793 1.716 -2.239 0.00 0.00 O+0 HETATM 52 O UNK 0 7.552 3.413 -0.946 0.00 0.00 O+0 HETATM 53 C UNK 0 3.036 1.771 -0.346 0.00 0.00 C+0 HETATM 54 O UNK 0 2.765 1.038 0.700 0.00 0.00 O+0 HETATM 55 N UNK 0 1.939 2.336 -0.977 0.00 0.00 N+0 HETATM 56 C UNK 0 1.458 3.654 -1.179 0.00 0.00 C+0 HETATM 57 C UNK 0 2.063 4.485 -2.251 0.00 0.00 C+0 HETATM 58 O UNK 0 1.913 3.866 -3.506 0.00 0.00 O+0 HETATM 59 C UNK 0 1.420 4.506 0.069 0.00 0.00 C+0 HETATM 60 O UNK 0 2.218 5.466 0.214 0.00 0.00 O+0 HETATM 61 N UNK 0 0.489 4.247 1.108 0.00 0.00 N+0 HETATM 62 C UNK 0 0.664 4.197 2.558 0.00 0.00 C+0 HETATM 63 C UNK 0 -0.552 4.902 3.079 0.00 0.00 C+0 HETATM 64 C UNK 0 -1.636 4.419 2.165 0.00 0.00 C+0 HETATM 65 O UNK 0 -2.472 5.505 1.922 0.00 0.00 O+0 HETATM 66 C UNK 0 -0.923 3.955 0.895 0.00 0.00 C+0 HETATM 67 C UNK 0 -1.521 4.720 -0.214 0.00 0.00 C+0 HETATM 68 O UNK 0 -0.992 5.805 -0.548 0.00 0.00 O+0 HETATM 69 N UNK 0 -2.653 4.257 -0.888 0.00 0.00 N+0 HETATM 70 C UNK 0 -3.161 2.879 -0.724 0.00 0.00 C+0 HETATM 71 C UNK 0 -3.839 2.521 -2.053 0.00 0.00 C+0 HETATM 72 O UNK 0 -2.782 2.621 -2.996 0.00 0.00 O+0 HETATM 73 C UNK 0 -4.814 3.583 -2.383 0.00 0.00 C+0 HETATM 74 O UNK 0 -4.607 4.384 -3.344 0.00 0.00 O+0 HETATM 75 O UNK 0 -5.983 3.736 -1.657 0.00 0.00 O+0 HETATM 76 C UNK 0 -4.055 2.780 0.432 0.00 0.00 C+0 HETATM 77 O UNK 0 -4.764 3.831 0.657 0.00 0.00 O+0 HETATM 78 O UNK 0 -4.181 1.730 1.231 0.00 0.00 O+0 HETATM 79 H UNK 0 -11.842 1.517 -1.253 0.00 0.00 H+0 HETATM 80 H UNK 0 -12.859 0.066 -1.511 0.00 0.00 H+0 HETATM 81 H UNK 0 -11.094 -0.104 -1.660 0.00 0.00 H+0 HETATM 82 H UNK 0 -12.833 0.270 0.763 0.00 0.00 H+0 HETATM 83 H UNK 0 -11.460 -1.653 1.544 0.00 0.00 H+0 HETATM 84 H UNK 0 -12.538 -1.956 0.162 0.00 0.00 H+0 HETATM 85 H UNK 0 -10.733 -1.791 -0.122 0.00 0.00 H+0 HETATM 86 H UNK 0 -10.875 0.479 2.178 0.00 0.00 H+0 HETATM 87 H UNK 0 -11.056 1.902 1.128 0.00 0.00 H+0 HETATM 88 H UNK 0 -9.312 0.810 -0.476 0.00 0.00 H+0 HETATM 89 H UNK 0 -9.148 -0.472 0.787 0.00 0.00 H+0 HETATM 90 H UNK 0 -8.725 2.527 1.362 0.00 0.00 H+0 HETATM 91 H UNK 0 -8.462 1.149 2.489 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.874 1.694 -0.069 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.443 1.922 1.650 0.00 0.00 H+0 HETATM 94 H UNK 0 -6.670 -0.430 2.083 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.261 -0.809 0.464 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.984 -1.492 0.513 0.00 0.00 H+0 HETATM 97 H UNK 0 -5.211 -0.149 -0.607 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.066 -0.006 2.244 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.981 0.604 0.940 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.833 -0.040 -0.518 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.707 -2.523 1.440 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.649 -3.158 -1.031 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.593 -3.926 -0.593 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.909 -1.843 -1.641 0.00 0.00 H+0 HETATM 105 H UNK 0 -2.188 -1.669 -2.128 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.365 -2.727 -3.058 0.00 0.00 H+0 HETATM 107 H UNK 0 -3.038 -5.367 -2.011 0.00 0.00 H+0 HETATM 108 H UNK 0 -0.014 -7.312 1.011 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.676 -7.430 -0.632 0.00 0.00 H+0 HETATM 110 H UNK 0 2.234 -7.353 0.185 0.00 0.00 H+0 HETATM 111 H UNK 0 1.421 -8.104 -1.284 0.00 0.00 H+0 HETATM 112 H UNK 0 2.821 -5.890 -1.569 0.00 0.00 H+0 HETATM 113 H UNK 0 1.103 -5.888 -2.264 0.00 0.00 H+0 HETATM 114 H UNK 0 1.203 -3.895 -0.813 0.00 0.00 H+0 HETATM 115 H UNK 0 4.915 -3.993 2.294 0.00 0.00 H+0 HETATM 116 H UNK 0 4.553 -5.770 1.993 0.00 0.00 H+0 HETATM 117 H UNK 0 6.601 -4.420 0.771 0.00 0.00 H+0 HETATM 118 H UNK 0 5.703 -5.780 -0.021 0.00 0.00 H+0 HETATM 119 H UNK 0 4.645 -4.369 -1.443 0.00 0.00 H+0 HETATM 120 H UNK 0 5.763 -3.074 -1.039 0.00 0.00 H+0 HETATM 121 H UNK 0 3.090 -2.853 -0.601 0.00 0.00 H+0 HETATM 122 H UNK 0 5.844 -1.558 2.341 0.00 0.00 H+0 HETATM 123 H UNK 0 5.751 -0.730 -0.601 0.00 0.00 H+0 HETATM 124 H UNK 0 7.635 -2.330 0.216 0.00 0.00 H+0 HETATM 125 H UNK 0 8.097 -1.127 1.417 0.00 0.00 H+0 HETATM 126 H UNK 0 8.062 -0.639 -1.631 0.00 0.00 H+0 HETATM 127 H UNK 0 8.494 0.561 -0.391 0.00 0.00 H+0 HETATM 128 H UNK 0 9.924 -2.143 -0.745 0.00 0.00 H+0 HETATM 129 H UNK 0 10.500 -0.492 -1.297 0.00 0.00 H+0 HETATM 130 H UNK 0 12.200 -0.928 2.971 0.00 0.00 H+0 HETATM 131 H UNK 0 12.015 0.826 2.762 0.00 0.00 H+0 HETATM 132 H UNK 0 13.451 -0.067 -0.147 0.00 0.00 H+0 HETATM 133 H UNK 0 12.116 0.995 -0.645 0.00 0.00 H+0 HETATM 134 H UNK 0 4.982 2.256 1.423 0.00 0.00 H+0 HETATM 135 H UNK 0 4.800 0.935 -1.258 0.00 0.00 H+0 HETATM 136 H UNK 0 4.656 3.205 -2.269 0.00 0.00 H+0 HETATM 137 H UNK 0 4.464 3.920 0.408 0.00 0.00 H+0 HETATM 138 H UNK 0 7.484 4.083 -0.187 0.00 0.00 H+0 HETATM 139 H UNK 0 1.272 1.600 -1.433 0.00 0.00 H+0 HETATM 140 H UNK 0 0.349 3.609 -1.462 0.00 0.00 H+0 HETATM 141 H UNK 0 3.035 4.921 -2.071 0.00 0.00 H+0 HETATM 142 H UNK 0 1.375 5.390 -2.350 0.00 0.00 H+0 HETATM 143 H UNK 0 2.562 4.226 -4.156 0.00 0.00 H+0 HETATM 144 H UNK 0 0.669 3.148 2.922 0.00 0.00 H+0 HETATM 145 H UNK 0 1.552 4.722 2.910 0.00 0.00 H+0 HETATM 146 H UNK 0 -0.464 6.005 3.095 0.00 0.00 H+0 HETATM 147 H UNK 0 -0.763 4.517 4.098 0.00 0.00 H+0 HETATM 148 H UNK 0 -2.246 3.636 2.621 0.00 0.00 H+0 HETATM 149 H UNK 0 -1.996 6.370 1.970 0.00 0.00 H+0 HETATM 150 H UNK 0 -1.109 2.867 0.835 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.191 4.868 -1.537 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.258 2.241 -0.691 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.276 1.524 -2.051 0.00 0.00 H+0 HETATM 154 H UNK 0 -2.605 3.574 -3.199 0.00 0.00 H+0 HETATM 155 H UNK 0 -6.890 3.855 -2.065 0.00 0.00 H+0 CONECT 1 2 79 80 81 CONECT 2 1 3 4 82 CONECT 3 2 83 84 85 CONECT 4 2 5 86 87 CONECT 5 4 6 88 89 CONECT 6 5 7 90 91 CONECT 7 6 8 92 93 CONECT 8 7 9 94 95 CONECT 9 8 10 96 97 CONECT 10 9 11 78 98 CONECT 11 10 12 99 100 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 101 CONECT 15 14 16 19 102 CONECT 16 15 17 18 103 CONECT 17 16 104 105 106 CONECT 18 16 107 CONECT 19 15 20 21 CONECT 20 19 CONECT 21 19 22 25 CONECT 22 21 23 108 109 CONECT 23 22 24 110 111 CONECT 24 23 25 112 113 CONECT 25 24 26 21 114 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 32 CONECT 29 28 30 115 116 CONECT 30 29 31 117 118 CONECT 31 30 32 119 120 CONECT 32 31 33 28 121 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 122 CONECT 36 35 37 44 123 CONECT 37 36 38 124 125 CONECT 38 37 39 126 127 CONECT 39 38 40 128 129 CONECT 40 39 41 CONECT 41 40 42 43 CONECT 42 41 130 131 CONECT 43 41 132 133 CONECT 44 36 45 46 CONECT 45 44 CONECT 46 44 47 134 CONECT 47 46 48 53 135 CONECT 48 47 49 50 136 CONECT 49 48 137 CONECT 50 48 51 52 CONECT 51 50 CONECT 52 50 138 CONECT 53 47 54 55 CONECT 54 53 CONECT 55 53 56 139 CONECT 56 55 57 59 140 CONECT 57 56 58 141 142 CONECT 58 57 143 CONECT 59 56 60 61 CONECT 60 59 CONECT 61 59 62 66 CONECT 62 61 63 144 145 CONECT 63 62 64 146 147 CONECT 64 63 65 66 148 CONECT 65 64 149 CONECT 66 64 67 61 150 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 151 CONECT 70 69 71 76 152 CONECT 71 70 72 73 153 CONECT 72 71 154 CONECT 73 71 74 75 CONECT 74 73 CONECT 75 73 155 CONECT 76 70 77 78 CONECT 77 76 CONECT 78 76 10 CONECT 79 1 CONECT 80 1 CONECT 81 1 CONECT 82 2 CONECT 83 3 CONECT 84 3 CONECT 85 3 CONECT 86 4 CONECT 87 4 CONECT 88 5 CONECT 89 5 CONECT 90 6 CONECT 91 6 CONECT 92 7 CONECT 93 7 CONECT 94 8 CONECT 95 8 CONECT 96 9 CONECT 97 9 CONECT 98 10 CONECT 99 11 CONECT 100 11 CONECT 101 14 CONECT 102 15 CONECT 103 16 CONECT 104 17 CONECT 105 17 CONECT 106 17 CONECT 107 18 CONECT 108 22 CONECT 109 22 CONECT 110 23 CONECT 111 23 CONECT 112 24 CONECT 113 24 CONECT 114 25 CONECT 115 29 CONECT 116 29 CONECT 117 30 CONECT 118 30 CONECT 119 31 CONECT 120 31 CONECT 121 32 CONECT 122 35 CONECT 123 36 CONECT 124 37 CONECT 125 37 CONECT 126 38 CONECT 127 38 CONECT 128 39 CONECT 129 39 CONECT 130 42 CONECT 131 42 CONECT 132 43 CONECT 133 43 CONECT 134 46 CONECT 135 47 CONECT 136 48 CONECT 137 49 CONECT 138 52 CONECT 139 55 CONECT 140 56 CONECT 141 57 CONECT 142 57 CONECT 143 58 CONECT 144 62 CONECT 145 62 CONECT 146 63 CONECT 147 63 CONECT 148 64 CONECT 149 65 CONECT 150 66 CONECT 151 69 CONECT 152 70 CONECT 153 71 CONECT 154 72 CONECT 155 75 MASTER 0 0 0 0 0 0 0 0 155 0 316 0 END SMILES for NP0004047 (Tripropeptin Z)[H]OC(=O)[C@@]([H])(O[H])[C@@]1([H])N([H])C(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]3([H])N(C(=O)[C@]4([H])N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(OC1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])[C@@]([H])(O[H])C(=O)O[H])C([H])([H])O[H])C([H])([H])C([H])([H])[C@@]2([H])O[H] INCHI for NP0004047 (Tripropeptin Z)InChI=1S/C48H77N11O19/c1-23(2)11-6-4-5-7-12-25-21-31(63)54-32(24(3)61)44(72)58-19-10-15-29(58)43(71)57-18-9-14-28(57)39(67)52-26(13-8-17-51-48(49)50)38(66)55-33(36(64)45(73)74)40(68)53-27(22-60)42(70)59-20-16-30(62)35(59)41(69)56-34(47(77)78-25)37(65)46(75)76/h23-30,32-37,60-62,64-65H,4-22H2,1-3H3,(H,52,67)(H,53,68)(H,54,63)(H,55,66)(H,56,69)(H,73,74)(H,75,76)(H4,49,50,51)/t24-,25+,26-,27-,28-,29-,30-,32-,33-,34-,35+,36-,37+/m1/s1 3D Structure for NP0004047 (Tripropeptin Z) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C48H77N11O19 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1112.2020 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1111.53972 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-2-[(1R,7R,10R,13R,16R,21R,22S,25R,28S,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-{3-[(diaminomethylidene)amino]propyl}-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(7-methyloctyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octaazatetracyclo[32.3.0.0^{3,7}.0^{18,22}]heptatriacontan-13-yl]-2-hydroxyacetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (R)-[(1R,7R,10R,13R,16R,21R,22S,25R,28S,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-{3-[(diaminomethylidene)amino]propyl}-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(7-methyloctyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octaazatetracyclo[32.3.0.0^{3,7}.0^{18,22}]heptatriacontan-13-yl](hydroxy)acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CCCCCCC1CC(=O)NC(C(C)O)C(=O)N2CCCC2C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(C(O)C(O)=O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(O)=O)C(=O)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C48H77N11O19/c1-23(2)11-6-4-5-7-12-25-21-31(63)54-32(24(3)61)44(72)58-19-10-15-29(58)43(71)57-18-9-14-28(57)39(67)52-26(13-8-17-51-48(49)50)38(66)55-33(36(64)45(73)74)40(68)53-27(22-60)42(70)59-20-16-30(62)35(59)41(69)56-34(47(77)78-25)37(65)46(75)76/h23-30,32-37,60-62,64-65H,4-22H2,1-3H3,(H,52,67)(H,53,68)(H,54,63)(H,55,66)(H,56,69)(H,73,74)(H,75,76)(H4,49,50,51) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CDGPSUVNLUGBRV-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species Where Detected |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA001769 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78443901 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 58960775 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
