Showing NP-Card for Zeamine (NP0008917)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 06:24:32 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:01:47 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0008917 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Zeamine | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Zeamine belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Zeamine is found in Dickeya zeae and Serratia plymuthica. Zeamine was first documented in 2010 (PMID: 20024369). Based on a literature review a small amount of articles have been published on Zeamine (PMID: 34456933) (PMID: 33693901) (PMID: 33079956) (PMID: 31824457). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0008917 (Zeamine)
Mrv1652307012120293D
163162 0 0 0 0 999 V2000
18.9060 2.1067 -2.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5183 1.6905 -2.3905 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7034 2.8898 -2.0451 C 0 0 1 0 0 0 0 0 0 0 0 0
15.3746 2.6514 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0
15.0850 2.1312 -0.1739 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5434 0.8762 0.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
16.9401 0.6959 0.6001 N 0 0 2 0 0 0 0 0 0 0 0 0
14.8838 -0.2931 -0.3189 C 0 0 1 0 0 0 0 0 0 0 0 0
15.2976 -1.6239 0.1952 C 0 0 2 0 0 0 0 0 0 0 0 0
15.0153 -1.9539 1.5919 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6418 -2.0351 2.0995 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7512 -3.0585 1.4967 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3953 -3.0856 2.1390 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5929 -1.8174 2.0199 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3057 -2.0643 2.7776 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6908 -2.3482 4.1527 N 0 0 2 0 0 0 0 0 0 0 0 0
8.3218 -0.9748 2.7784 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7464 -0.5290 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9917 -1.5627 0.7288 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8246 -2.1759 1.3807 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7062 -1.3063 1.8013 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0170 -0.5348 0.7119 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3739 -1.3172 -0.3513 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3205 -2.2933 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9737 -2.8644 -1.4334 N 0 0 2 0 0 0 0 0 0 0 0 0
1.0096 -1.8878 0.4717 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9680 -1.2498 1.7992 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4544 -0.9526 2.2494 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1249 -0.0446 1.2576 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3919 1.2406 1.0875 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0314 2.1871 0.1155 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4060 2.5750 0.6233 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9823 3.5461 -0.3779 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1629 4.7161 -0.5401 N 0 0 2 0 0 0 0 0 0 0 0 0
-3.4072 2.8863 -1.6262 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5502 1.9036 -1.3550 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9287 1.2424 -2.6351 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0608 0.3126 -2.6582 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4432 0.7759 -2.4948 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.9036 1.5093 -1.3082 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.3982 1.8615 -1.4118 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.3051 0.6954 -1.4589 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.2681 -0.1082 -0.3336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.7246 1.1507 -1.6983 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1848 2.0735 -0.6023 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.5093 2.5724 -0.7997 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6531 1.6593 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3783 0.4643 -0.7462 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9696 2.2070 -1.0819 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.2123 1.4290 -0.9815 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.3001 2.3481 -1.3288 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6432 0.8527 0.2960 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.9459 -0.2222 1.0143 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.7310 -0.3134 2.2923 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2652 -1.6066 0.4521 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.6531 -1.7979 0.1601 N 0 0 2 0 0 0 0 0 0 0 0 0
-16.3176 -2.1210 -0.5429 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.7796 -3.4966 -1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.9578 -2.4092 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5319 1.1926 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3145 2.8938 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8399 2.5055 -3.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5675 0.8466 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0421 1.2633 -3.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3185 3.6141 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6527 3.4945 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7472 2.1246 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8402 3.6874 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9414 2.1576 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4052 2.9539 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0853 0.8195 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2378 0.1728 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4569 1.6075 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8053 -0.0808 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2202 -0.2319 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4322 -1.6332 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9897 -2.3869 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5694 -2.9261 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5697 -1.2263 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1103 -1.0436 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6751 -2.2088 3.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5867 -2.8002 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1441 -4.0915 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7856 -3.8652 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4616 -3.3758 3.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4632 -1.6240 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1513 -0.9515 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8826 -3.0476 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8623 -2.5041 4.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2721 -1.5387 4.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5472 -1.2191 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -0.0687 3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1485 0.3947 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5832 -0.1835 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 -1.1352 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7268 -2.3871 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4158 -2.9361 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0968 -2.8223 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9082 -1.8943 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0039 -0.5454 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4771 0.3041 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9037 -0.0023 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1843 -1.7494 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9134 -0.5431 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6552 -3.2056 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6245 -3.8233 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7435 -2.7394 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5055 -1.2711 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3441 -2.8063 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -1.9819 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 -0.2944 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.3608 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0507 -1.8643 2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2806 -0.5755 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 0.1842 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 1.1009 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3833 1.7826 2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0688 1.7486 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3629 3.0966 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0466 1.7235 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 3.1221 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 3.9035 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1839 5.3721 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3170 5.1732 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7499 3.6441 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5901 2.3171 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3183 2.4657 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1563 1.0765 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0300 0.6807 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1306 2.0640 -3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9758 -0.2716 -3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8273 -0.4868 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6723 1.4383 -3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1367 -0.1170 -2.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4362 2.5392 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7470 0.9350 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5858 2.4973 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5062 2.5229 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0702 0.0233 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3909 -0.5600 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3511 0.2430 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7883 1.7172 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5150 2.9749 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1105 1.5955 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6996 3.5706 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9433 2.6937 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1078 3.1576 -0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2326 0.6763 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.1552 2.6248 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7834 0.6463 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6598 1.7555 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9641 -0.0491 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6730 0.5985 2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1054 -2.3251 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.9271 -1.6117 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2616 -1.4456 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1732 -1.4416 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7033 -3.3546 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9467 -4.1729 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9408 -3.9104 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7846 -1.6557 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0112 -3.4155 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2081 -2.3509 -0.6738 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
6 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 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 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
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 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
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33 34 1 0 0 0 0
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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 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
1 60 1 0 0 0 0
1 61 1 0 0 0 0
1 62 1 0 0 0 0
2 63 1 0 0 0 0
2 64 1 0 0 0 0
3 65 1 0 0 0 0
3 66 1 0 0 0 0
4 67 1 0 0 0 0
4 68 1 0 0 0 0
5 69 1 0 0 0 0
5 70 1 0 0 0 0
6 71 1 1 0 0 0
7 72 1 0 0 0 0
7 73 1 0 0 0 0
8 74 1 0 0 0 0
8 75 1 0 0 0 0
9 76 1 0 0 0 0
9 77 1 0 0 0 0
10 78 1 0 0 0 0
10 79 1 0 0 0 0
11 80 1 0 0 0 0
11 81 1 0 0 0 0
12 82 1 0 0 0 0
12 83 1 0 0 0 0
13 84 1 0 0 0 0
13 85 1 0 0 0 0
14 86 1 0 0 0 0
14 87 1 0 0 0 0
15 88 1 6 0 0 0
16 89 1 0 0 0 0
16 90 1 0 0 0 0
17 91 1 0 0 0 0
17 92 1 0 0 0 0
18 93 1 0 0 0 0
18 94 1 0 0 0 0
19 95 1 0 0 0 0
19 96 1 0 0 0 0
20 97 1 0 0 0 0
20 98 1 0 0 0 0
21 99 1 0 0 0 0
21100 1 0 0 0 0
22101 1 0 0 0 0
22102 1 0 0 0 0
23103 1 0 0 0 0
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24105 1 1 0 0 0
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26108 1 0 0 0 0
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27110 1 0 0 0 0
27111 1 0 0 0 0
28112 1 0 0 0 0
28113 1 0 0 0 0
29114 1 0 0 0 0
29115 1 0 0 0 0
30116 1 0 0 0 0
30117 1 0 0 0 0
31118 1 0 0 0 0
31119 1 0 0 0 0
32120 1 0 0 0 0
32121 1 0 0 0 0
33122 1 1 0 0 0
34123 1 0 0 0 0
34124 1 0 0 0 0
35125 1 0 0 0 0
35126 1 0 0 0 0
36127 1 0 0 0 0
36128 1 0 0 0 0
37129 1 0 0 0 0
37130 1 0 0 0 0
38131 1 0 0 0 0
38132 1 0 0 0 0
39133 1 0 0 0 0
39134 1 0 0 0 0
40135 1 0 0 0 0
40136 1 0 0 0 0
41137 1 0 0 0 0
41138 1 0 0 0 0
42139 1 6 0 0 0
43140 1 0 0 0 0
44141 1 0 0 0 0
44142 1 0 0 0 0
45143 1 0 0 0 0
45144 1 0 0 0 0
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49146 1 0 0 0 0
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50148 1 6 0 0 0
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53152 1 1 0 0 0
54153 1 0 0 0 0
55154 1 1 0 0 0
56155 1 0 0 0 0
56156 1 0 0 0 0
57157 1 6 0 0 0
58158 1 0 0 0 0
58159 1 0 0 0 0
58160 1 0 0 0 0
59161 1 0 0 0 0
59162 1 0 0 0 0
59163 1 0 0 0 0
M END
3D MOL for NP0008917 (Zeamine)
RDKit 3D
163162 0 0 0 0 0 0 0 0999 V2000
18.9060 2.1067 -2.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5183 1.6905 -2.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7034 2.8898 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3746 2.6514 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0850 2.1312 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5434 0.8762 0.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
16.9401 0.6959 0.6001 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8838 -0.2931 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2976 -1.6239 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0153 -1.9539 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6418 -2.0351 2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7512 -3.0585 1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3953 -3.0856 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5929 -1.8174 2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3057 -2.0643 2.7776 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6908 -2.3482 4.1527 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3218 -0.9748 2.7784 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7464 -0.5290 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9917 -1.5627 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8246 -2.1759 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7062 -1.3063 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0170 -0.5348 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3739 -1.3172 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3205 -2.2933 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9737 -2.8644 -1.4334 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -1.8878 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 -1.2498 1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4544 -0.9526 2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 -0.0446 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 1.2406 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0314 2.1871 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4060 2.5750 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9823 3.5461 -0.3779 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1629 4.7161 -0.5401 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4072 2.8863 -1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5502 1.9036 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9287 1.2424 -2.6351 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0608 0.3126 -2.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4432 0.7759 -2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9036 1.5093 -1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3982 1.8615 -1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3051 0.6954 -1.4589 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.2681 -0.1082 -0.3336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.7246 1.1507 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1848 2.0735 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5093 2.5724 -0.7997 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6531 1.6593 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3783 0.4643 -0.7462 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9696 2.2070 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
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-14.9578 -2.4092 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5319 1.1926 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
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17.0421 1.2633 -3.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3185 3.6141 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6527 3.4945 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7472 2.1246 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8402 3.6874 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9414 2.1576 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4052 2.9539 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0853 0.8195 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2378 0.1728 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.5472 -1.2191 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.1485 0.3947 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5832 -0.1835 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 -1.1352 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.0968 -2.8223 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9082 -1.8943 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0039 -0.5454 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4771 0.3041 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.4285 -1.9819 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
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28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
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39 40 1 0
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42 43 1 0
42 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 2 0
47 49 1 0
49 50 1 0
50 51 1 0
50 52 1 0
52 53 1 0
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57 58 1 0
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1 60 1 0
1 61 1 0
1 62 1 0
2 63 1 0
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5 69 1 0
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6 71 1 1
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14 86 1 0
14 87 1 0
15 88 1 6
16 89 1 0
16 90 1 0
17 91 1 0
17 92 1 0
18 93 1 0
18 94 1 0
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21100 1 0
22101 1 0
22102 1 0
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24105 1 1
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27110 1 0
27111 1 0
28112 1 0
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29114 1 0
29115 1 0
30116 1 0
30117 1 0
31118 1 0
31119 1 0
32120 1 0
32121 1 0
33122 1 1
34123 1 0
34124 1 0
35125 1 0
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36127 1 0
36128 1 0
37129 1 0
37130 1 0
38131 1 0
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39133 1 0
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40135 1 0
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41138 1 0
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51149 1 0
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58158 1 0
58159 1 0
58160 1 0
59161 1 0
59162 1 0
59163 1 0
M END
3D SDF for NP0008917 (Zeamine)
Mrv1652307012120293D
163162 0 0 0 0 999 V2000
18.9060 2.1067 -2.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5183 1.6905 -2.3905 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7034 2.8898 -2.0451 C 0 0 1 0 0 0 0 0 0 0 0 0
15.3746 2.6514 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0
15.0850 2.1312 -0.1739 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5434 0.8762 0.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
16.9401 0.6959 0.6001 N 0 0 2 0 0 0 0 0 0 0 0 0
14.8838 -0.2931 -0.3189 C 0 0 1 0 0 0 0 0 0 0 0 0
15.2976 -1.6239 0.1952 C 0 0 2 0 0 0 0 0 0 0 0 0
15.0153 -1.9539 1.5919 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6418 -2.0351 2.0995 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7512 -3.0585 1.4967 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3953 -3.0856 2.1390 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5929 -1.8174 2.0199 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3057 -2.0643 2.7776 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6908 -2.3482 4.1527 N 0 0 2 0 0 0 0 0 0 0 0 0
8.3218 -0.9748 2.7784 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7464 -0.5290 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9917 -1.5627 0.7288 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8246 -2.1759 1.3807 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7062 -1.3063 1.8013 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0170 -0.5348 0.7119 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3739 -1.3172 -0.3513 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3205 -2.2933 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9737 -2.8644 -1.4334 N 0 0 2 0 0 0 0 0 0 0 0 0
1.0096 -1.8878 0.4717 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9680 -1.2498 1.7992 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4544 -0.9526 2.2494 C 0 0 2 0 0 0 0 0 0 0 0 0
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-0.3919 1.2406 1.0875 C 0 0 2 0 0 0 0 0 0 0 0 0
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-2.4060 2.5750 0.6233 C 0 0 1 0 0 0 0 0 0 0 0 0
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-2.1629 4.7161 -0.5401 N 0 0 2 0 0 0 0 0 0 0 0 0
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-10.3051 0.6954 -1.4589 C 0 0 1 0 0 0 0 0 0 0 0 0
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-11.7246 1.1507 -1.6983 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1848 2.0735 -0.6023 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.5093 2.5724 -0.7997 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6531 1.6593 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3783 0.4643 -0.7462 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9696 2.2070 -1.0819 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.2123 1.4290 -0.9815 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.3001 2.3481 -1.3288 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6432 0.8527 0.2960 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.9459 -0.2222 1.0143 C 0 0 1 0 0 0 0 0 0 0 0 0
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-17.2652 -1.6066 0.4521 C 0 0 1 0 0 0 0 0 0 0 0 0
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-16.3176 -2.1210 -0.5429 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.7796 -3.4966 -1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.9578 -2.4092 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5319 1.1926 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3145 2.8938 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8399 2.5055 -3.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5675 0.8466 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0421 1.2633 -3.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3185 3.6141 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6527 3.4945 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7472 2.1246 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8402 3.6874 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9414 2.1576 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4052 2.9539 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0853 0.8195 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2378 0.1728 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4569 1.6075 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8053 -0.0808 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2202 -0.2319 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4322 -1.6332 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9897 -2.3869 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5694 -2.9261 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
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13.1103 -1.0436 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
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12.5867 -2.8002 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1441 -4.0915 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7856 -3.8652 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4616 -3.3758 3.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4632 -1.6240 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1513 -0.9515 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8826 -3.0476 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8623 -2.5041 4.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2721 -1.5387 4.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5472 -1.2191 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -0.0687 3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1485 0.3947 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5832 -0.1835 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 -1.1352 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7268 -2.3871 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4158 -2.9361 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0968 -2.8223 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9082 -1.8943 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0039 -0.5454 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4771 0.3041 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9037 -0.0023 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1843 -1.7494 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9134 -0.5431 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6552 -3.2056 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6245 -3.8233 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7435 -2.7394 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5055 -1.2711 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3441 -2.8063 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -1.9819 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 -0.2944 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.7470 0.9350 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5858 2.4973 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5062 2.5229 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0702 0.0233 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3909 -0.5600 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3511 0.2430 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7883 1.7172 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5150 2.9749 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1105 1.5955 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6996 3.5706 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9433 2.6937 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1078 3.1576 -0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2326 0.6763 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.1552 2.6248 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7834 0.6463 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6598 1.7555 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9641 -0.0491 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6730 0.5985 2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1054 -2.3251 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.9271 -1.6117 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2616 -1.4456 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1732 -1.4416 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7033 -3.3546 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9467 -4.1729 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9408 -3.9104 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7846 -1.6557 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0112 -3.4155 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2081 -2.3509 -0.6738 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
6 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 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 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
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 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 1 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 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
1 60 1 0 0 0 0
1 61 1 0 0 0 0
1 62 1 0 0 0 0
2 63 1 0 0 0 0
2 64 1 0 0 0 0
3 65 1 0 0 0 0
3 66 1 0 0 0 0
4 67 1 0 0 0 0
4 68 1 0 0 0 0
5 69 1 0 0 0 0
5 70 1 0 0 0 0
6 71 1 1 0 0 0
7 72 1 0 0 0 0
7 73 1 0 0 0 0
8 74 1 0 0 0 0
8 75 1 0 0 0 0
9 76 1 0 0 0 0
9 77 1 0 0 0 0
10 78 1 0 0 0 0
10 79 1 0 0 0 0
11 80 1 0 0 0 0
11 81 1 0 0 0 0
12 82 1 0 0 0 0
12 83 1 0 0 0 0
13 84 1 0 0 0 0
13 85 1 0 0 0 0
14 86 1 0 0 0 0
14 87 1 0 0 0 0
15 88 1 6 0 0 0
16 89 1 0 0 0 0
16 90 1 0 0 0 0
17 91 1 0 0 0 0
17 92 1 0 0 0 0
18 93 1 0 0 0 0
18 94 1 0 0 0 0
19 95 1 0 0 0 0
19 96 1 0 0 0 0
20 97 1 0 0 0 0
20 98 1 0 0 0 0
21 99 1 0 0 0 0
21100 1 0 0 0 0
22101 1 0 0 0 0
22102 1 0 0 0 0
23103 1 0 0 0 0
23104 1 0 0 0 0
24105 1 1 0 0 0
25106 1 0 0 0 0
25107 1 0 0 0 0
26108 1 0 0 0 0
26109 1 0 0 0 0
27110 1 0 0 0 0
27111 1 0 0 0 0
28112 1 0 0 0 0
28113 1 0 0 0 0
29114 1 0 0 0 0
29115 1 0 0 0 0
30116 1 0 0 0 0
30117 1 0 0 0 0
31118 1 0 0 0 0
31119 1 0 0 0 0
32120 1 0 0 0 0
32121 1 0 0 0 0
33122 1 1 0 0 0
34123 1 0 0 0 0
34124 1 0 0 0 0
35125 1 0 0 0 0
35126 1 0 0 0 0
36127 1 0 0 0 0
36128 1 0 0 0 0
37129 1 0 0 0 0
37130 1 0 0 0 0
38131 1 0 0 0 0
38132 1 0 0 0 0
39133 1 0 0 0 0
39134 1 0 0 0 0
40135 1 0 0 0 0
40136 1 0 0 0 0
41137 1 0 0 0 0
41138 1 0 0 0 0
42139 1 6 0 0 0
43140 1 0 0 0 0
44141 1 0 0 0 0
44142 1 0 0 0 0
45143 1 0 0 0 0
45144 1 0 0 0 0
46145 1 0 0 0 0
49146 1 0 0 0 0
49147 1 0 0 0 0
50148 1 6 0 0 0
51149 1 0 0 0 0
52150 1 0 0 0 0
52151 1 0 0 0 0
53152 1 1 0 0 0
54153 1 0 0 0 0
55154 1 1 0 0 0
56155 1 0 0 0 0
56156 1 0 0 0 0
57157 1 6 0 0 0
58158 1 0 0 0 0
58159 1 0 0 0 0
58160 1 0 0 0 0
59161 1 0 0 0 0
59162 1 0 0 0 0
59163 1 0 0 0 0
M END
> <DATABASE_ID>
NP0008917
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([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])(N([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])(N([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])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C49H104N6O4/c1-4-5-18-27-41(50)28-19-10-6-11-20-29-42(51)30-21-12-7-13-22-31-43(52)32-23-14-8-15-24-33-44(53)34-25-16-9-17-26-35-45(56)36-37-55-48(59)39-46(57)38-47(58)49(54)40(2)3/h40-47,49,56-58H,4-39,50-54H2,1-3H3,(H,55,59)/t41-,42+,43-,44+,45+,46+,47+,49-/m0/s1
> <INCHI_KEY>
VLJURIPGVYZMCR-UHFFFAOYSA-N
> <FORMULA>
C49H104N6O4
> <MOLECULAR_WEIGHT>
841.409
> <EXACT_MASS>
840.811905853
> <JCHEM_ACCEPTOR_COUNT>
9
> <JCHEM_ATOM_COUNT>
163
> <JCHEM_AVERAGE_POLARIZABILITY>
108.13546652092924
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
9
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R,5R,6S)-6-amino-3,5-dihydroxy-7-methyl-N-[(3R,11R,19S,27R,35S)-11,19,27,35-tetraamino-3-hydroxytetracontyl]octanamide
> <ALOGPS_LOGP>
6.00
> <JCHEM_LOGP>
8.504087859333332
> <ALOGPS_LOGS>
-6.85
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
5
> <JCHEM_PKA>
14.962069636866556
> <JCHEM_PKA_STRONGEST_ACIDIC>
14.323672881891113
> <JCHEM_PKA_STRONGEST_BASIC>
11.073542629945532
> <JCHEM_POLAR_SURFACE_AREA>
219.89
> <JCHEM_REFRACTIVITY>
252.07000000000005
> <JCHEM_ROTATABLE_BOND_COUNT>
45
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.19e-04 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R,5R,6S)-6-amino-3,5-dihydroxy-7-methyl-N-[(3R,11R,19S,27R,35S)-11,19,27,35-tetraamino-3-hydroxytetracontyl]octanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0008917 (Zeamine)
RDKit 3D
163162 0 0 0 0 0 0 0 0999 V2000
18.9060 2.1067 -2.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5183 1.6905 -2.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7034 2.8898 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3746 2.6514 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0850 2.1312 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5434 0.8762 0.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
16.9401 0.6959 0.6001 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8838 -0.2931 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2976 -1.6239 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0153 -1.9539 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6418 -2.0351 2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7512 -3.0585 1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3953 -3.0856 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5929 -1.8174 2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3057 -2.0643 2.7776 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6908 -2.3482 4.1527 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3218 -0.9748 2.7784 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7464 -0.5290 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9917 -1.5627 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8246 -2.1759 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7062 -1.3063 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0170 -0.5348 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3739 -1.3172 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3205 -2.2933 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9737 -2.8644 -1.4334 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -1.8878 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 -1.2498 1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4544 -0.9526 2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 -0.0446 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 1.2406 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0314 2.1871 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4060 2.5750 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9823 3.5461 -0.3779 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1629 4.7161 -0.5401 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4072 2.8863 -1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5502 1.9036 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9287 1.2424 -2.6351 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0608 0.3126 -2.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4432 0.7759 -2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9036 1.5093 -1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3982 1.8615 -1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3051 0.6954 -1.4589 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.2681 -0.1082 -0.3336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.7246 1.1507 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1848 2.0735 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5093 2.5724 -0.7997 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6531 1.6593 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3783 0.4643 -0.7462 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9696 2.2070 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.2123 1.4290 -0.9815 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.3001 2.3481 -1.3288 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6432 0.8527 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.9459 -0.2222 1.0143 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.7310 -0.3134 2.2923 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2652 -1.6066 0.4521 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.6531 -1.7979 0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0
-16.3176 -2.1210 -0.5429 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.7796 -3.4966 -1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.9578 -2.4092 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5319 1.1926 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3145 2.8938 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8399 2.5055 -3.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5675 0.8466 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0421 1.2633 -3.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3185 3.6141 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6527 3.4945 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7472 2.1246 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8402 3.6874 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9414 2.1576 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4052 2.9539 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0853 0.8195 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2378 0.1728 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4569 1.6075 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8053 -0.0808 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2202 -0.2319 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4322 -1.6332 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9897 -2.3869 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5694 -2.9261 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5697 -1.2263 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1103 -1.0436 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6751 -2.2088 3.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5867 -2.8002 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1441 -4.0915 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7856 -3.8652 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4616 -3.3758 3.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4632 -1.6240 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1513 -0.9515 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8826 -3.0476 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8623 -2.5041 4.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2721 -1.5387 4.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5472 -1.2191 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -0.0687 3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1485 0.3947 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5832 -0.1835 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 -1.1352 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7268 -2.3871 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4158 -2.9361 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0968 -2.8223 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9082 -1.8943 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0039 -0.5454 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4771 0.3041 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9037 -0.0023 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1843 -1.7494 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9134 -0.5431 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6552 -3.2056 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6245 -3.8233 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7435 -2.7394 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5055 -1.2711 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3441 -2.8063 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -1.9819 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 -0.2944 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.3608 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0507 -1.8643 2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2806 -0.5755 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 0.1842 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 1.1009 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3833 1.7826 2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0688 1.7486 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3629 3.0966 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0466 1.7235 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 3.1221 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 3.9035 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1839 5.3721 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3170 5.1732 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7499 3.6441 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5901 2.3171 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3183 2.4657 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1563 1.0765 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0300 0.6807 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1306 2.0640 -3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9758 -0.2716 -3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8273 -0.4868 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6723 1.4383 -3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1367 -0.1170 -2.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4362 2.5392 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7470 0.9350 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5858 2.4973 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5062 2.5229 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0702 0.0233 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3909 -0.5600 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3511 0.2430 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7883 1.7172 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5150 2.9749 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1105 1.5955 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6996 3.5706 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9433 2.6937 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1078 3.1576 -0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2326 0.6763 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.1552 2.6248 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7834 0.6463 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6598 1.7555 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9641 -0.0491 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6730 0.5985 2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1054 -2.3251 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.9271 -1.6117 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2616 -1.4456 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1732 -1.4416 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7033 -3.3546 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9467 -4.1729 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9408 -3.9104 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7846 -1.6557 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0112 -3.4155 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2081 -2.3509 -0.6738 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
6 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
24 26 1 0
26 27 1 0
27 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 1 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 1 0
41 42 1 0
42 43 1 0
42 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 2 0
47 49 1 0
49 50 1 0
50 51 1 0
50 52 1 0
52 53 1 0
53 54 1 0
53 55 1 0
55 56 1 0
55 57 1 0
57 58 1 0
57 59 1 0
1 60 1 0
1 61 1 0
1 62 1 0
2 63 1 0
2 64 1 0
3 65 1 0
3 66 1 0
4 67 1 0
4 68 1 0
5 69 1 0
5 70 1 0
6 71 1 1
7 72 1 0
7 73 1 0
8 74 1 0
8 75 1 0
9 76 1 0
9 77 1 0
10 78 1 0
10 79 1 0
11 80 1 0
11 81 1 0
12 82 1 0
12 83 1 0
13 84 1 0
13 85 1 0
14 86 1 0
14 87 1 0
15 88 1 6
16 89 1 0
16 90 1 0
17 91 1 0
17 92 1 0
18 93 1 0
18 94 1 0
19 95 1 0
19 96 1 0
20 97 1 0
20 98 1 0
21 99 1 0
21100 1 0
22101 1 0
22102 1 0
23103 1 0
23104 1 0
24105 1 1
25106 1 0
25107 1 0
26108 1 0
26109 1 0
27110 1 0
27111 1 0
28112 1 0
28113 1 0
29114 1 0
29115 1 0
30116 1 0
30117 1 0
31118 1 0
31119 1 0
32120 1 0
32121 1 0
33122 1 1
34123 1 0
34124 1 0
35125 1 0
35126 1 0
36127 1 0
36128 1 0
37129 1 0
37130 1 0
38131 1 0
38132 1 0
39133 1 0
39134 1 0
40135 1 0
40136 1 0
41137 1 0
41138 1 0
42139 1 6
43140 1 0
44141 1 0
44142 1 0
45143 1 0
45144 1 0
46145 1 0
49146 1 0
49147 1 0
50148 1 6
51149 1 0
52150 1 0
52151 1 0
53152 1 1
54153 1 0
55154 1 1
56155 1 0
56156 1 0
57157 1 6
58158 1 0
58159 1 0
58160 1 0
59161 1 0
59162 1 0
59163 1 0
M END
PDB for NP0008917 (Zeamine)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 18.906 2.107 -2.918 0.00 0.00 C+0 HETATM 2 C UNK 0 17.518 1.690 -2.390 0.00 0.00 C+0 HETATM 3 C UNK 0 16.703 2.890 -2.045 0.00 0.00 C+0 HETATM 4 C UNK 0 15.375 2.651 -1.490 0.00 0.00 C+0 HETATM 5 C UNK 0 15.085 2.131 -0.174 0.00 0.00 C+0 HETATM 6 C UNK 0 15.543 0.876 0.406 0.00 0.00 C+0 HETATM 7 N UNK 0 16.940 0.696 0.600 0.00 0.00 N+0 HETATM 8 C UNK 0 14.884 -0.293 -0.319 0.00 0.00 C+0 HETATM 9 C UNK 0 15.298 -1.624 0.195 0.00 0.00 C+0 HETATM 10 C UNK 0 15.015 -1.954 1.592 0.00 0.00 C+0 HETATM 11 C UNK 0 13.642 -2.035 2.099 0.00 0.00 C+0 HETATM 12 C UNK 0 12.751 -3.059 1.497 0.00 0.00 C+0 HETATM 13 C UNK 0 11.395 -3.086 2.139 0.00 0.00 C+0 HETATM 14 C UNK 0 10.593 -1.817 2.020 0.00 0.00 C+0 HETATM 15 C UNK 0 9.306 -2.064 2.778 0.00 0.00 C+0 HETATM 16 N UNK 0 9.691 -2.348 4.153 0.00 0.00 N+0 HETATM 17 C UNK 0 8.322 -0.975 2.778 0.00 0.00 C+0 HETATM 18 C UNK 0 7.746 -0.529 1.494 0.00 0.00 C+0 HETATM 19 C UNK 0 6.992 -1.563 0.729 0.00 0.00 C+0 HETATM 20 C UNK 0 5.825 -2.176 1.381 0.00 0.00 C+0 HETATM 21 C UNK 0 4.706 -1.306 1.801 0.00 0.00 C+0 HETATM 22 C UNK 0 4.017 -0.535 0.712 0.00 0.00 C+0 HETATM 23 C UNK 0 3.374 -1.317 -0.351 0.00 0.00 C+0 HETATM 24 C UNK 0 2.321 -2.293 -0.086 0.00 0.00 C+0 HETATM 25 N UNK 0 1.974 -2.864 -1.433 0.00 0.00 N+0 HETATM 26 C UNK 0 1.010 -1.888 0.472 0.00 0.00 C+0 HETATM 27 C UNK 0 0.968 -1.250 1.799 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.454 -0.953 2.249 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.125 -0.045 1.258 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.392 1.241 1.087 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.031 2.187 0.116 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.406 2.575 0.623 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.982 3.546 -0.378 0.00 0.00 C+0 HETATM 34 N UNK 0 -2.163 4.716 -0.540 0.00 0.00 N+0 HETATM 35 C UNK 0 -3.407 2.886 -1.626 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.550 1.904 -1.355 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.929 1.242 -2.635 0.00 0.00 C+0 HETATM 38 C UNK 0 -6.061 0.313 -2.658 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.443 0.776 -2.495 0.00 0.00 C+0 HETATM 40 C UNK 0 -7.904 1.509 -1.308 0.00 0.00 C+0 HETATM 41 C UNK 0 -9.398 1.861 -1.412 0.00 0.00 C+0 HETATM 42 C UNK 0 -10.305 0.695 -1.459 0.00 0.00 C+0 HETATM 43 O UNK 0 -10.268 -0.108 -0.334 0.00 0.00 O+0 HETATM 44 C UNK 0 -11.725 1.151 -1.698 0.00 0.00 C+0 HETATM 45 C UNK 0 -12.185 2.074 -0.602 0.00 0.00 C+0 HETATM 46 N UNK 0 -13.509 2.572 -0.800 0.00 0.00 N+0 HETATM 47 C UNK 0 -14.653 1.659 -0.873 0.00 0.00 C+0 HETATM 48 O UNK 0 -14.378 0.464 -0.746 0.00 0.00 O+0 HETATM 49 C UNK 0 -15.970 2.207 -1.082 0.00 0.00 C+0 HETATM 50 C UNK 0 -17.212 1.429 -0.982 0.00 0.00 C+0 HETATM 51 O UNK 0 -18.300 2.348 -1.329 0.00 0.00 O+0 HETATM 52 C UNK 0 -17.643 0.853 0.296 0.00 0.00 C+0 HETATM 53 C UNK 0 -16.946 -0.222 1.014 0.00 0.00 C+0 HETATM 54 O UNK 0 -17.731 -0.313 2.292 0.00 0.00 O+0 HETATM 55 C UNK 0 -17.265 -1.607 0.452 0.00 0.00 C+0 HETATM 56 N UNK 0 -18.653 -1.798 0.160 0.00 0.00 N+0 HETATM 57 C UNK 0 -16.318 -2.121 -0.543 0.00 0.00 C+0 HETATM 58 C UNK 0 -16.780 -3.497 -1.068 0.00 0.00 C+0 HETATM 59 C UNK 0 -14.958 -2.409 0.115 0.00 0.00 C+0 HETATM 60 H UNK 0 19.532 1.193 -2.962 0.00 0.00 H+0 HETATM 61 H UNK 0 19.314 2.894 -2.269 0.00 0.00 H+0 HETATM 62 H UNK 0 18.840 2.506 -3.946 0.00 0.00 H+0 HETATM 63 H UNK 0 17.567 0.847 -1.755 0.00 0.00 H+0 HETATM 64 H UNK 0 17.042 1.263 -3.366 0.00 0.00 H+0 HETATM 65 H UNK 0 17.319 3.614 -1.401 0.00 0.00 H+0 HETATM 66 H UNK 0 16.653 3.494 -3.018 0.00 0.00 H+0 HETATM 67 H UNK 0 14.747 2.125 -2.310 0.00 0.00 H+0 HETATM 68 H UNK 0 14.840 3.687 -1.534 0.00 0.00 H+0 HETATM 69 H UNK 0 13.941 2.158 -0.057 0.00 0.00 H+0 HETATM 70 H UNK 0 15.405 2.954 0.575 0.00 0.00 H+0 HETATM 71 H UNK 0 15.085 0.820 1.453 0.00 0.00 H+0 HETATM 72 H UNK 0 17.238 0.173 1.442 0.00 0.00 H+0 HETATM 73 H UNK 0 17.457 1.607 0.500 0.00 0.00 H+0 HETATM 74 H UNK 0 13.805 -0.081 -0.323 0.00 0.00 H+0 HETATM 75 H UNK 0 15.220 -0.232 -1.381 0.00 0.00 H+0 HETATM 76 H UNK 0 16.432 -1.633 0.094 0.00 0.00 H+0 HETATM 77 H UNK 0 14.990 -2.387 -0.548 0.00 0.00 H+0 HETATM 78 H UNK 0 15.569 -2.926 1.815 0.00 0.00 H+0 HETATM 79 H UNK 0 15.570 -1.226 2.259 0.00 0.00 H+0 HETATM 80 H UNK 0 13.110 -1.044 1.995 0.00 0.00 H+0 HETATM 81 H UNK 0 13.675 -2.209 3.194 0.00 0.00 H+0 HETATM 82 H UNK 0 12.587 -2.800 0.407 0.00 0.00 H+0 HETATM 83 H UNK 0 13.144 -4.091 1.546 0.00 0.00 H+0 HETATM 84 H UNK 0 10.786 -3.865 1.586 0.00 0.00 H+0 HETATM 85 H UNK 0 11.462 -3.376 3.216 0.00 0.00 H+0 HETATM 86 H UNK 0 10.463 -1.624 0.957 0.00 0.00 H+0 HETATM 87 H UNK 0 11.151 -0.952 2.455 0.00 0.00 H+0 HETATM 88 H UNK 0 8.883 -3.048 2.414 0.00 0.00 H+0 HETATM 89 H UNK 0 8.862 -2.504 4.777 0.00 0.00 H+0 HETATM 90 H UNK 0 10.272 -1.539 4.530 0.00 0.00 H+0 HETATM 91 H UNK 0 7.547 -1.219 3.551 0.00 0.00 H+0 HETATM 92 H UNK 0 8.842 -0.069 3.226 0.00 0.00 H+0 HETATM 93 H UNK 0 7.149 0.395 1.680 0.00 0.00 H+0 HETATM 94 H UNK 0 8.583 -0.184 0.821 0.00 0.00 H+0 HETATM 95 H UNK 0 6.722 -1.135 -0.244 0.00 0.00 H+0 HETATM 96 H UNK 0 7.727 -2.387 0.512 0.00 0.00 H+0 HETATM 97 H UNK 0 5.416 -2.936 0.651 0.00 0.00 H+0 HETATM 98 H UNK 0 6.097 -2.822 2.268 0.00 0.00 H+0 HETATM 99 H UNK 0 3.908 -1.894 2.321 0.00 0.00 H+0 HETATM 100 H UNK 0 5.004 -0.545 2.578 0.00 0.00 H+0 HETATM 101 H UNK 0 3.477 0.304 1.134 0.00 0.00 H+0 HETATM 102 H UNK 0 4.904 -0.002 0.176 0.00 0.00 H+0 HETATM 103 H UNK 0 4.184 -1.749 -1.044 0.00 0.00 H+0 HETATM 104 H UNK 0 2.913 -0.543 -1.070 0.00 0.00 H+0 HETATM 105 H UNK 0 2.655 -3.206 0.469 0.00 0.00 H+0 HETATM 106 H UNK 0 1.625 -3.823 -1.319 0.00 0.00 H+0 HETATM 107 H UNK 0 2.744 -2.739 -2.095 0.00 0.00 H+0 HETATM 108 H UNK 0 0.505 -1.271 -0.325 0.00 0.00 H+0 HETATM 109 H UNK 0 0.344 -2.806 0.530 0.00 0.00 H+0 HETATM 110 H UNK 0 1.429 -1.982 2.540 0.00 0.00 H+0 HETATM 111 H UNK 0 1.503 -0.294 1.909 0.00 0.00 H+0 HETATM 112 H UNK 0 -0.336 -0.361 3.207 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.051 -1.864 2.436 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.281 -0.576 0.296 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.141 0.184 1.664 0.00 0.00 H+0 HETATM 116 H UNK 0 0.657 1.101 0.737 0.00 0.00 H+0 HETATM 117 H UNK 0 -0.383 1.783 2.082 0.00 0.00 H+0 HETATM 118 H UNK 0 -1.069 1.749 -0.899 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.363 3.097 0.059 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.047 1.724 0.754 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.261 3.122 1.608 0.00 0.00 H+0 HETATM 122 H UNK 0 -3.950 3.904 0.136 0.00 0.00 H+0 HETATM 123 H UNK 0 -2.184 5.372 0.261 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.317 5.173 -1.475 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.750 3.644 -2.349 0.00 0.00 H+0 HETATM 126 H UNK 0 -2.590 2.317 -2.122 0.00 0.00 H+0 HETATM 127 H UNK 0 -5.318 2.466 -0.830 0.00 0.00 H+0 HETATM 128 H UNK 0 -4.156 1.077 -0.698 0.00 0.00 H+0 HETATM 129 H UNK 0 -4.030 0.681 -3.023 0.00 0.00 H+0 HETATM 130 H UNK 0 -5.131 2.064 -3.380 0.00 0.00 H+0 HETATM 131 H UNK 0 -5.976 -0.272 -3.632 0.00 0.00 H+0 HETATM 132 H UNK 0 -5.827 -0.487 -1.856 0.00 0.00 H+0 HETATM 133 H UNK 0 -7.672 1.438 -3.409 0.00 0.00 H+0 HETATM 134 H UNK 0 -8.137 -0.117 -2.715 0.00 0.00 H+0 HETATM 135 H UNK 0 -7.436 2.539 -1.237 0.00 0.00 H+0 HETATM 136 H UNK 0 -7.747 0.935 -0.382 0.00 0.00 H+0 HETATM 137 H UNK 0 -9.586 2.497 -0.523 0.00 0.00 H+0 HETATM 138 H UNK 0 -9.506 2.523 -2.311 0.00 0.00 H+0 HETATM 139 H UNK 0 -10.070 0.023 -2.358 0.00 0.00 H+0 HETATM 140 H UNK 0 -9.391 -0.560 -0.343 0.00 0.00 H+0 HETATM 141 H UNK 0 -12.351 0.243 -1.779 0.00 0.00 H+0 HETATM 142 H UNK 0 -11.788 1.717 -2.667 0.00 0.00 H+0 HETATM 143 H UNK 0 -11.515 2.975 -0.559 0.00 0.00 H+0 HETATM 144 H UNK 0 -12.111 1.595 0.412 0.00 0.00 H+0 HETATM 145 H UNK 0 -13.700 3.571 -0.893 0.00 0.00 H+0 HETATM 146 H UNK 0 -15.943 2.694 -2.115 0.00 0.00 H+0 HETATM 147 H UNK 0 -16.108 3.158 -0.423 0.00 0.00 H+0 HETATM 148 H UNK 0 -17.233 0.676 -1.831 0.00 0.00 H+0 HETATM 149 H UNK 0 -18.155 2.625 -2.256 0.00 0.00 H+0 HETATM 150 H UNK 0 -18.783 0.646 0.269 0.00 0.00 H+0 HETATM 151 H UNK 0 -17.660 1.756 1.034 0.00 0.00 H+0 HETATM 152 H UNK 0 -15.964 -0.049 1.333 0.00 0.00 H+0 HETATM 153 H UNK 0 -17.673 0.599 2.672 0.00 0.00 H+0 HETATM 154 H UNK 0 -17.105 -2.325 1.374 0.00 0.00 H+0 HETATM 155 H UNK 0 -18.927 -1.612 -0.810 0.00 0.00 H+0 HETATM 156 H UNK 0 -19.262 -1.446 0.903 0.00 0.00 H+0 HETATM 157 H UNK 0 -16.173 -1.442 -1.386 0.00 0.00 H+0 HETATM 158 H UNK 0 -17.703 -3.355 -1.648 0.00 0.00 H+0 HETATM 159 H UNK 0 -16.947 -4.173 -0.228 0.00 0.00 H+0 HETATM 160 H UNK 0 -15.941 -3.910 -1.672 0.00 0.00 H+0 HETATM 161 H UNK 0 -14.785 -1.656 0.907 0.00 0.00 H+0 HETATM 162 H UNK 0 -15.011 -3.416 0.547 0.00 0.00 H+0 HETATM 163 H UNK 0 -14.208 -2.351 -0.674 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 63 64 CONECT 3 2 4 65 66 CONECT 4 3 5 67 68 CONECT 5 4 6 69 70 CONECT 6 5 7 8 71 CONECT 7 6 72 73 CONECT 8 6 9 74 75 CONECT 9 8 10 76 77 CONECT 10 9 11 78 79 CONECT 11 10 12 80 81 CONECT 12 11 13 82 83 CONECT 13 12 14 84 85 CONECT 14 13 15 86 87 CONECT 15 14 16 17 88 CONECT 16 15 89 90 CONECT 17 15 18 91 92 CONECT 18 17 19 93 94 CONECT 19 18 20 95 96 CONECT 20 19 21 97 98 CONECT 21 20 22 99 100 CONECT 22 21 23 101 102 CONECT 23 22 24 103 104 CONECT 24 23 25 26 105 CONECT 25 24 106 107 CONECT 26 24 27 108 109 CONECT 27 26 28 110 111 CONECT 28 27 29 112 113 CONECT 29 28 30 114 115 CONECT 30 29 31 116 117 CONECT 31 30 32 118 119 CONECT 32 31 33 120 121 CONECT 33 32 34 35 122 CONECT 34 33 123 124 CONECT 35 33 36 125 126 CONECT 36 35 37 127 128 CONECT 37 36 38 129 130 CONECT 38 37 39 131 132 CONECT 39 38 40 133 134 CONECT 40 39 41 135 136 CONECT 41 40 42 137 138 CONECT 42 41 43 44 139 CONECT 43 42 140 CONECT 44 42 45 141 142 CONECT 45 44 46 143 144 CONECT 46 45 47 145 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 146 147 CONECT 50 49 51 52 148 CONECT 51 50 149 CONECT 52 50 53 150 151 CONECT 53 52 54 55 152 CONECT 54 53 153 CONECT 55 53 56 57 154 CONECT 56 55 155 156 CONECT 57 55 58 59 157 CONECT 58 57 158 159 160 CONECT 59 57 161 162 163 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 2 CONECT 64 2 CONECT 65 3 CONECT 66 3 CONECT 67 4 CONECT 68 4 CONECT 69 5 CONECT 70 5 CONECT 71 6 CONECT 72 7 CONECT 73 7 CONECT 74 8 CONECT 75 8 CONECT 76 9 CONECT 77 9 CONECT 78 10 CONECT 79 10 CONECT 80 11 CONECT 81 11 CONECT 82 12 CONECT 83 12 CONECT 84 13 CONECT 85 13 CONECT 86 14 CONECT 87 14 CONECT 88 15 CONECT 89 16 CONECT 90 16 CONECT 91 17 CONECT 92 17 CONECT 93 18 CONECT 94 18 CONECT 95 19 CONECT 96 19 CONECT 97 20 CONECT 98 20 CONECT 99 21 CONECT 100 21 CONECT 101 22 CONECT 102 22 CONECT 103 23 CONECT 104 23 CONECT 105 24 CONECT 106 25 CONECT 107 25 CONECT 108 26 CONECT 109 26 CONECT 110 27 CONECT 111 27 CONECT 112 28 CONECT 113 28 CONECT 114 29 CONECT 115 29 CONECT 116 30 CONECT 117 30 CONECT 118 31 CONECT 119 31 CONECT 120 32 CONECT 121 32 CONECT 122 33 CONECT 123 34 CONECT 124 34 CONECT 125 35 CONECT 126 35 CONECT 127 36 CONECT 128 36 CONECT 129 37 CONECT 130 37 CONECT 131 38 CONECT 132 38 CONECT 133 39 CONECT 134 39 CONECT 135 40 CONECT 136 40 CONECT 137 41 CONECT 138 41 CONECT 139 42 CONECT 140 43 CONECT 141 44 CONECT 142 44 CONECT 143 45 CONECT 144 45 CONECT 145 46 CONECT 146 49 CONECT 147 49 CONECT 148 50 CONECT 149 51 CONECT 150 52 CONECT 151 52 CONECT 152 53 CONECT 153 54 CONECT 154 55 CONECT 155 56 CONECT 156 56 CONECT 157 57 CONECT 158 58 CONECT 159 58 CONECT 160 58 CONECT 161 59 CONECT 162 59 CONECT 163 59 MASTER 0 0 0 0 0 0 0 0 163 0 324 0 END SMILES for NP0008917 (Zeamine)[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([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])(N([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])(N([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])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0008917 (Zeamine)InChI=1S/C49H104N6O4/c1-4-5-18-27-41(50)28-19-10-6-11-20-29-42(51)30-21-12-7-13-22-31-43(52)32-23-14-8-15-24-33-44(53)34-25-16-9-17-26-35-45(56)36-37-55-48(59)39-46(57)38-47(58)49(54)40(2)3/h40-47,49,56-58H,4-39,50-54H2,1-3H3,(H,55,59)/t41-,42+,43-,44+,45+,46+,47+,49-/m0/s1 3D Structure for NP0008917 (Zeamine) | 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| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C49H104N6O4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 841.4090 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 840.81191 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R,5R,6S)-6-amino-3,5-dihydroxy-7-methyl-N-[(3R,11R,19S,27R,35S)-11,19,27,35-tetraamino-3-hydroxytetracontyl]octanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R,5R,6S)-6-amino-3,5-dihydroxy-7-methyl-N-[(3R,11R,19S,27R,35S)-11,19,27,35-tetraamino-3-hydroxytetracontyl]octanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(O)CCNC(=O)CC(O)CC(O)C(N)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C49H104N6O4/c1-4-5-18-27-41(50)28-19-10-6-11-20-29-42(51)30-21-12-7-13-22-31-43(52)32-23-14-8-15-24-33-44(53)34-25-16-9-17-26-35-45(56)36-37-55-48(59)39-46(57)38-47(58)49(54)40(2)3/h40-47,49,56-58H,4-39,50-54H2,1-3H3,(H,55,59) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | VLJURIPGVYZMCR-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Fatty Acyls | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Fatty amides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | N-acyl amines | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic 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 | NPA009575 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444663 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 46186780 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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