Showing NP-Card for Zeamine (NP0008917)
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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
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
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
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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
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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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11.1513 -0.9515 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
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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
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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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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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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
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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
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10 78 1 0
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11 80 1 0
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12 82 1 0
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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
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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
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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
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50148 1 6
51149 1 0
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56155 1 0
56156 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
-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
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-7.9036 1.5093 -1.3082 C 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
-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
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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
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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Show more...||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aliphatic acyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
