Showing NP-Card for Hypsiziprenol-AA14 (NP0001830)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-10-21 16:45:53 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0001830 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Hypsiziprenol-AA14 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Hypsiziprenol-AA14 is found in Hypsizygus marmoreus. It was first documented in 1999 (PMID: 10563937). Based on a literature review very few articles have been published on (6E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-1,6,54-triene-3,10,11,15,19,23,27,31,35,39,43,47,51-tridecol. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0001830 (Hypsiziprenol-AA14)
Mrv1652307012117063D
219218 0 0 0 0 999 V2000
-23.4914 0.3419 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.0798 -0.8215 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.6103 -0.9344 0.7500 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.8380 -0.2842 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.2343 -2.2287 0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.4926 -0.0906 -0.4697 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.1637 -0.1039 -1.0996 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.9913 0.3290 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.2183 1.3485 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5362 2.1821 -1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0184 1.7502 0.1577 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.7739 1.7227 -0.6367 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.3212 0.4536 -1.2506 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1190 0.8357 -1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9363 -0.6599 -0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1396 -1.4443 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3381 -1.6413 -1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0042 -0.3976 0.7572 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6791 0.1267 0.2901 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.7098 0.3191 1.4396 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4111 0.8785 0.9937 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5060 1.0367 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5170 2.1560 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7108 0.0025 -0.0572 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4198 0.6237 -0.4534 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.6460 -0.0783 -1.4735 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1309 -1.4497 -1.2343 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3244 -2.4544 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4875 -1.5853 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4121 -1.9432 -2.4169 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2926 -1.3765 -3.1028 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9596 -1.0713 -2.6342 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5561 -0.0270 -1.7064 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9944 0.0195 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 1.2712 -2.3031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9908 0.0527 -1.6775 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4325 -1.2300 -1.2324 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0201 -1.3880 -1.0297 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9771 -1.3434 -2.1457 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5293 -2.5680 -3.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2507 -1.6623 -1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8542 -0.1267 -3.0007 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8641 0.0185 -4.0763 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2818 0.2707 -3.7895 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6748 1.5715 -3.2009 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2037 1.5874 -3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4996 2.5310 -4.2682 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 2.1341 -2.0344 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9889 1.5069 -0.7146 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3334 1.3819 0.0217 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1240 0.6719 1.3252 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6586 -0.7437 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 1.2721 1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 0.7022 2.3429 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5337 0.1652 2.0947 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2457 0.2244 3.4757 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2952 1.5555 4.0644 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0190 1.2632 5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0319 1.9972 4.5173 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0296 2.6450 3.4542 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4149 2.8712 3.2747 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6089 2.3921 2.6915 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2701 1.0982 2.9755 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7055 -0.1658 2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 1.0088 4.4985 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7625 1.2247 2.9196 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4442 -0.0721 3.1828 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9322 0.2844 3.4231 C 0 0 1 0 0 0 0 0 0 0 0 0
15.7264 -0.9405 3.6711 C 0 0 1 0 0 0 0 0 0 0 0 0
17.1391 -0.3607 4.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2856 -1.6736 4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9961 -1.8187 2.4991 C 0 0 2 0 0 0 0 0 0 0 0 0
16.8584 -1.3787 1.4042 C 0 0 2 0 0 0 0 0 0 0 0 0
16.6146 -0.1851 0.5877 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7429 0.0120 -0.4502 C 0 0 2 0 0 0 0 0 0 0 0 0
19.0233 0.1804 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5007 1.2466 -1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
17.8999 -1.0584 -1.4345 C 0 0 2 0 0 0 0 0 0 0 0 0
16.6553 -1.2286 -2.2718 C 0 0 2 0 0 0 0 0 0 0 0 0
16.8951 -2.2971 -3.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8859 -2.0390 -4.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1180 -3.0615 -5.6352 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6163 -0.6216 -5.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.5094 0.5259 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.8020 1.1919 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-23.7062 -1.6993 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0156 -0.9164 2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.5231 0.7339 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.5546 -0.1858 2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.4362 -2.5223 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8322 0.9672 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.2320 -0.4538 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2540 0.4209 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.9743 -1.1844 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6741 -0.2284 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5835 2.5440 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.6832 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.9195 3.1276 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2855 2.8302 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0491 1.2104 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9199 2.2492 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9398 2.4360 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0026 0.1310 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2169 1.7915 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9146 -1.5982 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7880 -2.4940 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.4801 -1.0454 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9275 -1.2335 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4235 0.1899 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7726 -1.4007 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1896 -0.5156 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7919 1.1386 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5282 -0.6304 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1363 1.0148 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2058 0.0496 2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6789 1.7162 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1275 1.5337 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4629 2.8147 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3213 -0.1219 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6173 -0.9787 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7378 0.7370 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5938 1.7160 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7593 0.5580 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2230 -0.1261 -2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4152 -2.7773 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9732 -3.3882 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2079 -2.1355 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0671 -1.2916 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1452 -3.0464 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2734 -2.1826 -3.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6433 -0.3785 -3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1955 -2.0239 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 -2.0650 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2875 -1.0375 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 0.5421 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 -0.9586 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2869 0.6569 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0521 1.8917 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 0.8980 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 0.3875 -2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -2.0124 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 -1.5914 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1463 -2.4358 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.7067 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -2.2558 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -2.8854 -3.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2442 -3.3943 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -2.4202 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 0.7291 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0960 -0.3741 -3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8206 -0.9485 -4.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 0.7668 -4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8037 0.2332 -4.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 -0.6092 -3.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5305 2.3204 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5855 0.5668 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 1.8678 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 2.5646 -4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5295 3.1732 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 2.5229 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 2.2908 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 0.6386 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0850 0.8176 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 2.3816 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8750 -1.3874 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5781 -0.7472 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1809 -1.1579 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7682 0.6270 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 1.8412 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7594 0.2801 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1336 0.6217 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4679 -0.9276 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1350 -0.4029 3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5112 -0.4135 4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1944 0.9673 6.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4347 2.2124 5.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6832 0.4188 5.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0599 2.3720 5.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5156 3.6317 3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5097 2.7417 2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7951 3.2589 4.4062 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4124 4.0544 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5498 2.4661 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4591 3.2105 2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8169 -0.0325 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4194 -0.8165 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4319 -0.8403 3.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5247 1.9089 4.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 1.9824 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0072 1.5695 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0660 -0.5584 4.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3821 -0.7813 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2347 0.9033 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9033 0.9485 4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5623 -1.1270 4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9529 0.5481 4.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7710 -0.2387 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7218 -1.1800 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9970 -2.0945 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3813 -2.8231 2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8064 -2.2621 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9776 -1.4859 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7989 0.7476 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6758 -0.1361 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7515 0.7737 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5198 -0.7751 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8163 0.7468 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0515 1.9349 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1341 -2.0326 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7271 -0.8811 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4267 -0.2837 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8022 -1.5307 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0777 -3.2952 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3034 -4.0521 -5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2572 -3.0574 -6.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0381 -2.7886 -6.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7208 -0.5490 -6.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5398 -0.4371 -4.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2764 0.0896 -4.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 6 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
9 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
13 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 6 0 0 0
15 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
21 23 1 6 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 1 0 0 0
27 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 6 0 0 0
33 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
39 41 1 1 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 6 0 0 0
45 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 1 0 0 0
51 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 1 0 0 0
57 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 1 0 0 0
63 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 1 0 0 0
69 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 6 0 0 0
75 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 2 3 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
2 86 1 0 0 0 0
4 87 1 0 0 0 0
4 88 1 0 0 0 0
4 89 1 0 0 0 0
5 90 1 0 0 0 0
6 91 1 0 0 0 0
6 92 1 0 0 0 0
7 93 1 0 0 0 0
7 94 1 0 0 0 0
8 95 1 0 0 0 0
10 96 1 0 0 0 0
10 97 1 0 0 0 0
10 98 1 0 0 0 0
11 99 1 0 0 0 0
11100 1 0 0 0 0
12101 1 0 0 0 0
12102 1 0 0 0 0
13103 1 6 0 0 0
14104 1 0 0 0 0
16105 1 0 0 0 0
16106 1 0 0 0 0
16107 1 0 0 0 0
17108 1 0 0 0 0
18109 1 0 0 0 0
18110 1 0 0 0 0
19111 1 0 0 0 0
19112 1 0 0 0 0
20113 1 0 0 0 0
20114 1 0 0 0 0
22115 1 0 0 0 0
22116 1 0 0 0 0
22117 1 0 0 0 0
23118 1 0 0 0 0
24119 1 0 0 0 0
24120 1 0 0 0 0
25121 1 0 0 0 0
25122 1 0 0 0 0
26123 1 0 0 0 0
26124 1 0 0 0 0
28125 1 0 0 0 0
28126 1 0 0 0 0
28127 1 0 0 0 0
29128 1 0 0 0 0
30129 1 0 0 0 0
30130 1 0 0 0 0
31131 1 0 0 0 0
31132 1 0 0 0 0
32133 1 0 0 0 0
32134 1 0 0 0 0
34135 1 0 0 0 0
34136 1 0 0 0 0
34137 1 0 0 0 0
35138 1 0 0 0 0
36139 1 0 0 0 0
36140 1 0 0 0 0
37141 1 0 0 0 0
37142 1 0 0 0 0
38143 1 0 0 0 0
38144 1 0 0 0 0
40145 1 0 0 0 0
40146 1 0 0 0 0
40147 1 0 0 0 0
41148 1 0 0 0 0
42149 1 0 0 0 0
42150 1 0 0 0 0
43151 1 0 0 0 0
43152 1 0 0 0 0
44153 1 0 0 0 0
44154 1 0 0 0 0
46155 1 0 0 0 0
46156 1 0 0 0 0
46157 1 0 0 0 0
47158 1 0 0 0 0
48159 1 0 0 0 0
48160 1 0 0 0 0
49161 1 0 0 0 0
49162 1 0 0 0 0
50163 1 0 0 0 0
50164 1 0 0 0 0
52165 1 0 0 0 0
52166 1 0 0 0 0
52167 1 0 0 0 0
53168 1 0 0 0 0
54169 1 0 0 0 0
54170 1 0 0 0 0
55171 1 0 0 0 0
55172 1 0 0 0 0
56173 1 0 0 0 0
56174 1 0 0 0 0
58175 1 0 0 0 0
58176 1 0 0 0 0
58177 1 0 0 0 0
59178 1 0 0 0 0
60179 1 0 0 0 0
60180 1 0 0 0 0
61181 1 0 0 0 0
61182 1 0 0 0 0
62183 1 0 0 0 0
62184 1 0 0 0 0
64185 1 0 0 0 0
64186 1 0 0 0 0
64187 1 0 0 0 0
65188 1 0 0 0 0
66189 1 0 0 0 0
66190 1 0 0 0 0
67191 1 0 0 0 0
67192 1 0 0 0 0
68193 1 0 0 0 0
68194 1 0 0 0 0
70195 1 0 0 0 0
70196 1 0 0 0 0
70197 1 0 0 0 0
71198 1 0 0 0 0
72199 1 0 0 0 0
72200 1 0 0 0 0
73201 1 0 0 0 0
73202 1 0 0 0 0
74203 1 0 0 0 0
74204 1 0 0 0 0
76205 1 0 0 0 0
76206 1 0 0 0 0
76207 1 0 0 0 0
77208 1 0 0 0 0
78209 1 0 0 0 0
78210 1 0 0 0 0
79211 1 0 0 0 0
79212 1 0 0 0 0
80213 1 0 0 0 0
82214 1 0 0 0 0
82215 1 0 0 0 0
82216 1 0 0 0 0
83217 1 0 0 0 0
83218 1 0 0 0 0
83219 1 0 0 0 0
M END
3D MOL for NP0001830 (Hypsiziprenol-AA14)
RDKit 3D
219218 0 0 0 0 0 0 0 0999 V2000
-23.4914 0.3419 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.0798 -0.8215 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.6103 -0.9344 0.7500 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.8380 -0.2842 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.2343 -2.2287 0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.4926 -0.0906 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.1637 -0.1039 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9913 0.3290 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.2183 1.3485 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5362 2.1821 -1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0184 1.7502 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7739 1.7227 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.3212 0.4536 -1.2506 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1190 0.8357 -1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9363 -0.6599 -0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1396 -1.4443 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3381 -1.6413 -1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0042 -0.3976 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6791 0.1267 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7098 0.3191 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4111 0.8785 0.9937 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5060 1.0367 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5170 2.1560 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7108 0.0025 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4198 0.6237 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6460 -0.0783 -1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1309 -1.4497 -1.2343 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3244 -2.4544 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4875 -1.5853 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4121 -1.9432 -2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2926 -1.3765 -3.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9596 -1.0713 -2.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5561 -0.0270 -1.7064 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9944 0.0195 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 1.2712 -2.3031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9908 0.0527 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 -1.2300 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0201 -1.3880 -1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 -1.3434 -2.1457 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5293 -2.5680 -3.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2507 -1.6623 -1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8542 -0.1267 -3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 0.0185 -4.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2818 0.2707 -3.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6748 1.5715 -3.2009 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2037 1.5874 -3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4996 2.5310 -4.2682 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 2.1341 -2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 1.5069 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3334 1.3819 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1240 0.6719 1.3252 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6586 -0.7437 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 1.2721 1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 0.7022 2.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5337 0.1652 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2457 0.2244 3.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2952 1.5555 4.0644 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0190 1.2632 5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0319 1.9972 4.5173 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0296 2.6450 3.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4149 2.8712 3.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6089 2.3921 2.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2701 1.0982 2.9755 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7055 -0.1658 2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 1.0088 4.4985 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7625 1.2247 2.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4442 -0.0721 3.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9322 0.2844 3.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7264 -0.9405 3.6711 C 0 0 1 0 0 0 0 0 0 0 0 0
17.1391 -0.3607 4.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2856 -1.6736 4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9961 -1.8187 2.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8584 -1.3787 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6146 -0.1851 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7429 0.0120 -0.4502 C 0 0 2 0 0 0 0 0 0 0 0 0
19.0233 0.1804 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5007 1.2466 -1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
17.8999 -1.0584 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6553 -1.2286 -2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8951 -2.2971 -3.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8859 -2.0390 -4.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1180 -3.0615 -5.6352 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6163 -0.6216 -5.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.5094 0.5259 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.8020 1.1919 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-23.7062 -1.6993 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0156 -0.9164 2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.5231 0.7339 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.5546 -0.1858 2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.4362 -2.5223 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8322 0.9672 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.2320 -0.4538 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2540 0.4209 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.9743 -1.1844 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6741 -0.2284 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5835 2.5440 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.6832 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.9195 3.1276 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2855 2.8302 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0491 1.2104 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9199 2.2492 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9398 2.4360 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0026 0.1310 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2169 1.7915 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9146 -1.5982 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7880 -2.4940 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.4801 -1.0454 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9275 -1.2335 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4235 0.1899 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7726 -1.4007 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1896 -0.5156 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7919 1.1386 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5282 -0.6304 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1363 1.0148 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2058 0.0496 2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6789 1.7162 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1275 1.5337 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4629 2.8147 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3213 -0.1219 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6173 -0.9787 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7378 0.7370 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5938 1.7160 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7593 0.5580 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2230 -0.1261 -2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4152 -2.7773 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9732 -3.3882 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2079 -2.1355 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0671 -1.2916 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1452 -3.0464 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2734 -2.1826 -3.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6433 -0.3785 -3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1955 -2.0239 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 -2.0650 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2875 -1.0375 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 0.5421 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 -0.9586 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2869 0.6569 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0521 1.8917 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 0.8980 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 0.3875 -2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -2.0124 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 -1.5914 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1463 -2.4358 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.7067 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -2.2558 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -2.8854 -3.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2442 -3.3943 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -2.4202 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 0.7291 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0960 -0.3741 -3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8206 -0.9485 -4.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 0.7668 -4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8037 0.2332 -4.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 -0.6092 -3.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5305 2.3204 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5855 0.5668 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 1.8678 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 2.5646 -4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5295 3.1732 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 2.5229 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 2.2908 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 0.6386 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0850 0.8176 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 2.3816 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8750 -1.3874 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5781 -0.7472 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1809 -1.1579 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7682 0.6270 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 1.8412 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7594 0.2801 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1336 0.6217 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4679 -0.9276 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1350 -0.4029 3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5112 -0.4135 4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1944 0.9673 6.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4347 2.2124 5.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6832 0.4188 5.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0599 2.3720 5.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5156 3.6317 3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5097 2.7417 2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7951 3.2589 4.4062 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4124 4.0544 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5498 2.4661 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4591 3.2105 2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8169 -0.0325 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4194 -0.8165 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4319 -0.8403 3.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5247 1.9089 4.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 1.9824 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0072 1.5695 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0660 -0.5584 4.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3821 -0.7813 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2347 0.9033 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9033 0.9485 4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5623 -1.1270 4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9529 0.5481 4.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7710 -0.2387 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7218 -1.1800 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9970 -2.0945 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3813 -2.8231 2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8064 -2.2621 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9776 -1.4859 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7989 0.7476 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6758 -0.1361 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7515 0.7737 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5198 -0.7751 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8163 0.7468 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0515 1.9349 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1341 -2.0326 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7271 -0.8811 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4267 -0.2837 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8022 -1.5307 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0777 -3.2952 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3034 -4.0521 -5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2572 -3.0574 -6.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0381 -2.7886 -6.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7208 -0.5490 -6.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5398 -0.4371 -4.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2764 0.0896 -4.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
3 5 1 6
3 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
15 17 1 6
15 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
21 23 1 6
21 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
27 29 1 1
27 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 1 6
33 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
39 41 1 1
39 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 1 6
45 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 1
51 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
57 59 1 1
57 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
63 65 1 1
63 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
69 71 1 1
69 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
75 77 1 6
75 78 1 0
78 79 1 0
79 80 1 0
80 81 2 3
81 82 1 0
81 83 1 0
1 84 1 0
1 85 1 0
2 86 1 0
4 87 1 0
4 88 1 0
4 89 1 0
5 90 1 0
6 91 1 0
6 92 1 0
7 93 1 0
7 94 1 0
8 95 1 0
10 96 1 0
10 97 1 0
10 98 1 0
11 99 1 0
11100 1 0
12101 1 0
12102 1 0
13103 1 6
14104 1 0
16105 1 0
16106 1 0
16107 1 0
17108 1 0
18109 1 0
18110 1 0
19111 1 0
19112 1 0
20113 1 0
20114 1 0
22115 1 0
22116 1 0
22117 1 0
23118 1 0
24119 1 0
24120 1 0
25121 1 0
25122 1 0
26123 1 0
26124 1 0
28125 1 0
28126 1 0
28127 1 0
29128 1 0
30129 1 0
30130 1 0
31131 1 0
31132 1 0
32133 1 0
32134 1 0
34135 1 0
34136 1 0
34137 1 0
35138 1 0
36139 1 0
36140 1 0
37141 1 0
37142 1 0
38143 1 0
38144 1 0
40145 1 0
40146 1 0
40147 1 0
41148 1 0
42149 1 0
42150 1 0
43151 1 0
43152 1 0
44153 1 0
44154 1 0
46155 1 0
46156 1 0
46157 1 0
47158 1 0
48159 1 0
48160 1 0
49161 1 0
49162 1 0
50163 1 0
50164 1 0
52165 1 0
52166 1 0
52167 1 0
53168 1 0
54169 1 0
54170 1 0
55171 1 0
55172 1 0
56173 1 0
56174 1 0
58175 1 0
58176 1 0
58177 1 0
59178 1 0
60179 1 0
60180 1 0
61181 1 0
61182 1 0
62183 1 0
62184 1 0
64185 1 0
64186 1 0
64187 1 0
65188 1 0
66189 1 0
66190 1 0
67191 1 0
67192 1 0
68193 1 0
68194 1 0
70195 1 0
70196 1 0
70197 1 0
71198 1 0
72199 1 0
72200 1 0
73201 1 0
73202 1 0
74203 1 0
74204 1 0
76205 1 0
76206 1 0
76207 1 0
77208 1 0
78209 1 0
78210 1 0
79211 1 0
79212 1 0
80213 1 0
82214 1 0
82215 1 0
82216 1 0
83217 1 0
83218 1 0
83219 1 0
M END
3D SDF for NP0001830 (Hypsiziprenol-AA14)
Mrv1652307012117063D
219218 0 0 0 0 999 V2000
-23.4914 0.3419 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.0798 -0.8215 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.6103 -0.9344 0.7500 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.8380 -0.2842 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.2343 -2.2287 0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.4926 -0.0906 -0.4697 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.1637 -0.1039 -1.0996 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.9913 0.3290 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.2183 1.3485 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5362 2.1821 -1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0184 1.7502 0.1577 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.7739 1.7227 -0.6367 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.3212 0.4536 -1.2506 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1190 0.8357 -1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9363 -0.6599 -0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1396 -1.4443 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3381 -1.6413 -1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0042 -0.3976 0.7572 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6791 0.1267 0.2901 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.7098 0.3191 1.4396 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4111 0.8785 0.9937 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5060 1.0367 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5170 2.1560 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7108 0.0025 -0.0572 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4198 0.6237 -0.4534 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.6460 -0.0783 -1.4735 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1309 -1.4497 -1.2343 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3244 -2.4544 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4875 -1.5853 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4121 -1.9432 -2.4169 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2926 -1.3765 -3.1028 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9596 -1.0713 -2.6342 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5561 -0.0270 -1.7064 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9944 0.0195 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 1.2712 -2.3031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9908 0.0527 -1.6775 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4325 -1.2300 -1.2324 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0201 -1.3880 -1.0297 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9771 -1.3434 -2.1457 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5293 -2.5680 -3.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2507 -1.6623 -1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8542 -0.1267 -3.0007 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8641 0.0185 -4.0763 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2818 0.2707 -3.7895 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6748 1.5715 -3.2009 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2037 1.5874 -3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4996 2.5310 -4.2682 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 2.1341 -2.0344 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9889 1.5069 -0.7146 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3334 1.3819 0.0217 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1240 0.6719 1.3252 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6586 -0.7437 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 1.2721 1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 0.7022 2.3429 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5337 0.1652 2.0947 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2457 0.2244 3.4757 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2952 1.5555 4.0644 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0190 1.2632 5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0319 1.9972 4.5173 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0296 2.6450 3.4542 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4149 2.8712 3.2747 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6089 2.3921 2.6915 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2701 1.0982 2.9755 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7055 -0.1658 2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 1.0088 4.4985 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7625 1.2247 2.9196 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4442 -0.0721 3.1828 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9322 0.2844 3.4231 C 0 0 1 0 0 0 0 0 0 0 0 0
15.7264 -0.9405 3.6711 C 0 0 1 0 0 0 0 0 0 0 0 0
17.1391 -0.3607 4.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2856 -1.6736 4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9961 -1.8187 2.4991 C 0 0 2 0 0 0 0 0 0 0 0 0
16.8584 -1.3787 1.4042 C 0 0 2 0 0 0 0 0 0 0 0 0
16.6146 -0.1851 0.5877 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7429 0.0120 -0.4502 C 0 0 2 0 0 0 0 0 0 0 0 0
19.0233 0.1804 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5007 1.2466 -1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
17.8999 -1.0584 -1.4345 C 0 0 2 0 0 0 0 0 0 0 0 0
16.6553 -1.2286 -2.2718 C 0 0 2 0 0 0 0 0 0 0 0 0
16.8951 -2.2971 -3.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8859 -2.0390 -4.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1180 -3.0615 -5.6352 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6163 -0.6216 -5.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.5094 0.5259 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.8020 1.1919 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-23.7062 -1.6993 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0156 -0.9164 2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.5231 0.7339 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.5546 -0.1858 2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.4362 -2.5223 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8322 0.9672 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.2320 -0.4538 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2540 0.4209 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.9743 -1.1844 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6741 -0.2284 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5835 2.5440 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.6832 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.9195 3.1276 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2855 2.8302 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0491 1.2104 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9199 2.2492 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9398 2.4360 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0026 0.1310 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2169 1.7915 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9146 -1.5982 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7880 -2.4940 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.4801 -1.0454 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9275 -1.2335 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4235 0.1899 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7726 -1.4007 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1896 -0.5156 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7919 1.1386 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5282 -0.6304 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1363 1.0148 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2058 0.0496 2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6789 1.7162 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1275 1.5337 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4629 2.8147 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3213 -0.1219 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6173 -0.9787 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7378 0.7370 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5938 1.7160 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7593 0.5580 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2230 -0.1261 -2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4152 -2.7773 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9732 -3.3882 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2079 -2.1355 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0671 -1.2916 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1452 -3.0464 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2734 -2.1826 -3.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6433 -0.3785 -3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1955 -2.0239 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 -2.0650 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2875 -1.0375 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 0.5421 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 -0.9586 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2869 0.6569 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0521 1.8917 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 0.8980 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 0.3875 -2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -2.0124 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 -1.5914 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1463 -2.4358 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.7067 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -2.2558 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -2.8854 -3.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2442 -3.3943 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -2.4202 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 0.7291 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0960 -0.3741 -3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8206 -0.9485 -4.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 0.7668 -4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8037 0.2332 -4.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 -0.6092 -3.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5305 2.3204 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5855 0.5668 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 1.8678 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 2.5646 -4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5295 3.1732 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 2.5229 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 2.2908 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 0.6386 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0850 0.8176 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 2.3816 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8750 -1.3874 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5781 -0.7472 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1809 -1.1579 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7682 0.6270 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 1.8412 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7594 0.2801 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1336 0.6217 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4679 -0.9276 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1350 -0.4029 3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5112 -0.4135 4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1944 0.9673 6.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4347 2.2124 5.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6832 0.4188 5.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0599 2.3720 5.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5156 3.6317 3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5097 2.7417 2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7951 3.2589 4.4062 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4124 4.0544 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5498 2.4661 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4591 3.2105 2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8169 -0.0325 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4194 -0.8165 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4319 -0.8403 3.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5247 1.9089 4.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 1.9824 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0072 1.5695 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0660 -0.5584 4.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3821 -0.7813 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2347 0.9033 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9033 0.9485 4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5623 -1.1270 4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9529 0.5481 4.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7710 -0.2387 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7218 -1.1800 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9970 -2.0945 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3813 -2.8231 2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8064 -2.2621 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9776 -1.4859 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7989 0.7476 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6758 -0.1361 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7515 0.7737 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5198 -0.7751 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8163 0.7468 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0515 1.9349 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1341 -2.0326 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7271 -0.8811 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4267 -0.2837 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8022 -1.5307 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0777 -3.2952 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3034 -4.0521 -5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2572 -3.0574 -6.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0381 -2.7886 -6.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7208 -0.5490 -6.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5398 -0.4371 -4.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2764 0.0896 -4.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 6 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
9 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
13 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 6 0 0 0
15 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
21 23 1 6 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 1 0 0 0
27 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 6 0 0 0
33 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
39 41 1 1 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 6 0 0 0
45 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 1 0 0 0
51 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 1 0 0 0
57 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 1 0 0 0
63 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 1 0 0 0
69 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 6 0 0 0
75 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 2 3 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
2 86 1 0 0 0 0
4 87 1 0 0 0 0
4 88 1 0 0 0 0
4 89 1 0 0 0 0
5 90 1 0 0 0 0
6 91 1 0 0 0 0
6 92 1 0 0 0 0
7 93 1 0 0 0 0
7 94 1 0 0 0 0
8 95 1 0 0 0 0
10 96 1 0 0 0 0
10 97 1 0 0 0 0
10 98 1 0 0 0 0
11 99 1 0 0 0 0
11100 1 0 0 0 0
12101 1 0 0 0 0
12102 1 0 0 0 0
13103 1 6 0 0 0
14104 1 0 0 0 0
16105 1 0 0 0 0
16106 1 0 0 0 0
16107 1 0 0 0 0
17108 1 0 0 0 0
18109 1 0 0 0 0
18110 1 0 0 0 0
19111 1 0 0 0 0
19112 1 0 0 0 0
20113 1 0 0 0 0
20114 1 0 0 0 0
22115 1 0 0 0 0
22116 1 0 0 0 0
22117 1 0 0 0 0
23118 1 0 0 0 0
24119 1 0 0 0 0
24120 1 0 0 0 0
25121 1 0 0 0 0
25122 1 0 0 0 0
26123 1 0 0 0 0
26124 1 0 0 0 0
28125 1 0 0 0 0
28126 1 0 0 0 0
28127 1 0 0 0 0
29128 1 0 0 0 0
30129 1 0 0 0 0
30130 1 0 0 0 0
31131 1 0 0 0 0
31132 1 0 0 0 0
32133 1 0 0 0 0
32134 1 0 0 0 0
34135 1 0 0 0 0
34136 1 0 0 0 0
34137 1 0 0 0 0
35138 1 0 0 0 0
36139 1 0 0 0 0
36140 1 0 0 0 0
37141 1 0 0 0 0
37142 1 0 0 0 0
38143 1 0 0 0 0
38144 1 0 0 0 0
40145 1 0 0 0 0
40146 1 0 0 0 0
40147 1 0 0 0 0
41148 1 0 0 0 0
42149 1 0 0 0 0
42150 1 0 0 0 0
43151 1 0 0 0 0
43152 1 0 0 0 0
44153 1 0 0 0 0
44154 1 0 0 0 0
46155 1 0 0 0 0
46156 1 0 0 0 0
46157 1 0 0 0 0
47158 1 0 0 0 0
48159 1 0 0 0 0
48160 1 0 0 0 0
49161 1 0 0 0 0
49162 1 0 0 0 0
50163 1 0 0 0 0
50164 1 0 0 0 0
52165 1 0 0 0 0
52166 1 0 0 0 0
52167 1 0 0 0 0
53168 1 0 0 0 0
54169 1 0 0 0 0
54170 1 0 0 0 0
55171 1 0 0 0 0
55172 1 0 0 0 0
56173 1 0 0 0 0
56174 1 0 0 0 0
58175 1 0 0 0 0
58176 1 0 0 0 0
58177 1 0 0 0 0
59178 1 0 0 0 0
60179 1 0 0 0 0
60180 1 0 0 0 0
61181 1 0 0 0 0
61182 1 0 0 0 0
62183 1 0 0 0 0
62184 1 0 0 0 0
64185 1 0 0 0 0
64186 1 0 0 0 0
64187 1 0 0 0 0
65188 1 0 0 0 0
66189 1 0 0 0 0
66190 1 0 0 0 0
67191 1 0 0 0 0
67192 1 0 0 0 0
68193 1 0 0 0 0
68194 1 0 0 0 0
70195 1 0 0 0 0
70196 1 0 0 0 0
70197 1 0 0 0 0
71198 1 0 0 0 0
72199 1 0 0 0 0
72200 1 0 0 0 0
73201 1 0 0 0 0
73202 1 0 0 0 0
74203 1 0 0 0 0
74204 1 0 0 0 0
76205 1 0 0 0 0
76206 1 0 0 0 0
76207 1 0 0 0 0
77208 1 0 0 0 0
78209 1 0 0 0 0
78210 1 0 0 0 0
79211 1 0 0 0 0
79212 1 0 0 0 0
80213 1 0 0 0 0
82214 1 0 0 0 0
82215 1 0 0 0 0
82216 1 0 0 0 0
83217 1 0 0 0 0
83218 1 0 0 0 0
83219 1 0 0 0 0
M END
> <DATABASE_ID>
NP0001830
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@]([H])(C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@](O[H])(C([H])=C([H])[H])C([H])([H])[H])\C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C70H136O13/c1-17-59(5,72)34-19-31-57(4)32-33-58(71)70(16,83)55-29-54-69(15,82)53-28-52-68(14,81)51-27-50-67(13,80)49-26-48-66(12,79)47-25-46-65(11,78)45-24-44-64(10,77)43-23-42-63(9,76)41-22-40-62(8,75)39-21-38-61(7,74)37-20-36-60(6,73)35-18-30-56(2)3/h17,30-31,58,71-83H,1,18-29,32-55H2,2-16H3/b57-31+/t58-,59-,60-,61+,62-,63-,64-,65+,66-,67-,68-,69-,70+/m1/s1
> <INCHI_KEY>
BKNRTVSTQAFBDO-PHZVCHTISA-N
> <FORMULA>
C70H136O13
> <MOLECULAR_WEIGHT>
1185.845
> <EXACT_MASS>
1184.998094439
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
219
> <JCHEM_AVERAGE_POLARIZABILITY>
147.1025439805174
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
13
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3S,6E,10R,11S,15R,19R,23R,27R,31S,35S,39S,43S,47R,51S)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-1,6,54-triene-3,10,11,15,19,23,27,31,35,39,43,47,51-tridecol
> <JCHEM_LOGP>
10.62576393533333
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
15.14294661341231
> <JCHEM_PKA_STRONGEST_ACIDIC>
13.732037358180474
> <JCHEM_PKA_STRONGEST_BASIC>
-0.13131280721350802
> <JCHEM_POLAR_SURFACE_AREA>
262.98999999999995
> <JCHEM_REFRACTIVITY>
347.19939999999986
> <JCHEM_ROTATABLE_BOND_COUNT>
51
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(3S,6E,10R,11S,15R,19R,23R,27R,31S,35S,39S,43S,47R,51S)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-1,6,54-triene-3,10,11,15,19,23,27,31,35,39,43,47,51-tridecol
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0001830 (Hypsiziprenol-AA14)
RDKit 3D
219218 0 0 0 0 0 0 0 0999 V2000
-23.4914 0.3419 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.0798 -0.8215 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.6103 -0.9344 0.7500 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.8380 -0.2842 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.2343 -2.2287 0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.4926 -0.0906 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.1637 -0.1039 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9913 0.3290 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.2183 1.3485 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5362 2.1821 -1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0184 1.7502 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7739 1.7227 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.3212 0.4536 -1.2506 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1190 0.8357 -1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9363 -0.6599 -0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1396 -1.4443 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3381 -1.6413 -1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0042 -0.3976 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6791 0.1267 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7098 0.3191 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4111 0.8785 0.9937 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5060 1.0367 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5170 2.1560 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7108 0.0025 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4198 0.6237 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6460 -0.0783 -1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1309 -1.4497 -1.2343 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3244 -2.4544 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4875 -1.5853 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4121 -1.9432 -2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2926 -1.3765 -3.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9596 -1.0713 -2.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5561 -0.0270 -1.7064 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9944 0.0195 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 1.2712 -2.3031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9908 0.0527 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 -1.2300 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0201 -1.3880 -1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 -1.3434 -2.1457 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5293 -2.5680 -3.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2507 -1.6623 -1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8542 -0.1267 -3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 0.0185 -4.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2818 0.2707 -3.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6748 1.5715 -3.2009 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2037 1.5874 -3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4996 2.5310 -4.2682 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 2.1341 -2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 1.5069 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3334 1.3819 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1240 0.6719 1.3252 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6586 -0.7437 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 1.2721 1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 0.7022 2.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5337 0.1652 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2457 0.2244 3.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2952 1.5555 4.0644 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0190 1.2632 5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0319 1.9972 4.5173 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0296 2.6450 3.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4149 2.8712 3.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6089 2.3921 2.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2701 1.0982 2.9755 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7055 -0.1658 2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 1.0088 4.4985 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7625 1.2247 2.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4442 -0.0721 3.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9322 0.2844 3.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7264 -0.9405 3.6711 C 0 0 1 0 0 0 0 0 0 0 0 0
17.1391 -0.3607 4.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2856 -1.6736 4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9961 -1.8187 2.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8584 -1.3787 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6146 -0.1851 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7429 0.0120 -0.4502 C 0 0 2 0 0 0 0 0 0 0 0 0
19.0233 0.1804 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5007 1.2466 -1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
17.8999 -1.0584 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6553 -1.2286 -2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8951 -2.2971 -3.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8859 -2.0390 -4.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1180 -3.0615 -5.6352 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6163 -0.6216 -5.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.5094 0.5259 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.8020 1.1919 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-23.7062 -1.6993 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0156 -0.9164 2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.5231 0.7339 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.5546 -0.1858 2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.4362 -2.5223 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8322 0.9672 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.2320 -0.4538 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2540 0.4209 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.9743 -1.1844 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6741 -0.2284 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5835 2.5440 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.6832 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.9195 3.1276 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2855 2.8302 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0491 1.2104 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9199 2.2492 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9398 2.4360 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0026 0.1310 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2169 1.7915 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9146 -1.5982 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7880 -2.4940 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.4801 -1.0454 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9275 -1.2335 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4235 0.1899 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7726 -1.4007 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1896 -0.5156 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7919 1.1386 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5282 -0.6304 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1363 1.0148 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2058 0.0496 2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6789 1.7162 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1275 1.5337 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4629 2.8147 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3213 -0.1219 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6173 -0.9787 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7378 0.7370 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5938 1.7160 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7593 0.5580 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2230 -0.1261 -2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4152 -2.7773 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9732 -3.3882 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2079 -2.1355 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0671 -1.2916 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1452 -3.0464 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2734 -2.1826 -3.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6433 -0.3785 -3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1955 -2.0239 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 -2.0650 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2875 -1.0375 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 0.5421 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 -0.9586 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2869 0.6569 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0521 1.8917 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 0.8980 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 0.3875 -2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -2.0124 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 -1.5914 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1463 -2.4358 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.7067 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -2.2558 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -2.8854 -3.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2442 -3.3943 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -2.4202 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 0.7291 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0960 -0.3741 -3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8206 -0.9485 -4.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 0.7668 -4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8037 0.2332 -4.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 -0.6092 -3.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5305 2.3204 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5855 0.5668 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 1.8678 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 2.5646 -4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5295 3.1732 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 2.5229 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 2.2908 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 0.6386 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0850 0.8176 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 2.3816 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8750 -1.3874 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5781 -0.7472 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1809 -1.1579 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7682 0.6270 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 1.8412 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7594 0.2801 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1336 0.6217 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4679 -0.9276 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1350 -0.4029 3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5112 -0.4135 4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1944 0.9673 6.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4347 2.2124 5.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6832 0.4188 5.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0599 2.3720 5.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5156 3.6317 3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5097 2.7417 2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7951 3.2589 4.4062 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4124 4.0544 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5498 2.4661 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4591 3.2105 2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8169 -0.0325 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4194 -0.8165 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4319 -0.8403 3.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5247 1.9089 4.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 1.9824 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0072 1.5695 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0660 -0.5584 4.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3821 -0.7813 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2347 0.9033 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9033 0.9485 4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5623 -1.1270 4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9529 0.5481 4.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7710 -0.2387 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7218 -1.1800 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9970 -2.0945 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3813 -2.8231 2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8064 -2.2621 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9776 -1.4859 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7989 0.7476 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6758 -0.1361 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7515 0.7737 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5198 -0.7751 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8163 0.7468 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0515 1.9349 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1341 -2.0326 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7271 -0.8811 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4267 -0.2837 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8022 -1.5307 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0777 -3.2952 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3034 -4.0521 -5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2572 -3.0574 -6.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0381 -2.7886 -6.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7208 -0.5490 -6.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5398 -0.4371 -4.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2764 0.0896 -4.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
3 5 1 6
3 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
15 17 1 6
15 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
21 23 1 6
21 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
27 29 1 1
27 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 1 6
33 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
39 41 1 1
39 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 1 6
45 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 1
51 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
57 59 1 1
57 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
63 65 1 1
63 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
69 71 1 1
69 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
75 77 1 6
75 78 1 0
78 79 1 0
79 80 1 0
80 81 2 3
81 82 1 0
81 83 1 0
1 84 1 0
1 85 1 0
2 86 1 0
4 87 1 0
4 88 1 0
4 89 1 0
5 90 1 0
6 91 1 0
6 92 1 0
7 93 1 0
7 94 1 0
8 95 1 0
10 96 1 0
10 97 1 0
10 98 1 0
11 99 1 0
11100 1 0
12101 1 0
12102 1 0
13103 1 6
14104 1 0
16105 1 0
16106 1 0
16107 1 0
17108 1 0
18109 1 0
18110 1 0
19111 1 0
19112 1 0
20113 1 0
20114 1 0
22115 1 0
22116 1 0
22117 1 0
23118 1 0
24119 1 0
24120 1 0
25121 1 0
25122 1 0
26123 1 0
26124 1 0
28125 1 0
28126 1 0
28127 1 0
29128 1 0
30129 1 0
30130 1 0
31131 1 0
31132 1 0
32133 1 0
32134 1 0
34135 1 0
34136 1 0
34137 1 0
35138 1 0
36139 1 0
36140 1 0
37141 1 0
37142 1 0
38143 1 0
38144 1 0
40145 1 0
40146 1 0
40147 1 0
41148 1 0
42149 1 0
42150 1 0
43151 1 0
43152 1 0
44153 1 0
44154 1 0
46155 1 0
46156 1 0
46157 1 0
47158 1 0
48159 1 0
48160 1 0
49161 1 0
49162 1 0
50163 1 0
50164 1 0
52165 1 0
52166 1 0
52167 1 0
53168 1 0
54169 1 0
54170 1 0
55171 1 0
55172 1 0
56173 1 0
56174 1 0
58175 1 0
58176 1 0
58177 1 0
59178 1 0
60179 1 0
60180 1 0
61181 1 0
61182 1 0
62183 1 0
62184 1 0
64185 1 0
64186 1 0
64187 1 0
65188 1 0
66189 1 0
66190 1 0
67191 1 0
67192 1 0
68193 1 0
68194 1 0
70195 1 0
70196 1 0
70197 1 0
71198 1 0
72199 1 0
72200 1 0
73201 1 0
73202 1 0
74203 1 0
74204 1 0
76205 1 0
76206 1 0
76207 1 0
77208 1 0
78209 1 0
78210 1 0
79211 1 0
79212 1 0
80213 1 0
82214 1 0
82215 1 0
82216 1 0
83217 1 0
83218 1 0
83219 1 0
M END
PDB for NP0001830 (Hypsiziprenol-AA14)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 -23.491 0.342 1.584 0.00 0.00 C+0 HETATM 2 C UNK 0 -23.080 -0.822 1.159 0.00 0.00 C+0 HETATM 3 C UNK 0 -21.610 -0.934 0.750 0.00 0.00 C+0 HETATM 4 C UNK 0 -20.838 -0.284 1.889 0.00 0.00 C+0 HETATM 5 O UNK 0 -21.234 -2.229 0.529 0.00 0.00 O+0 HETATM 6 C UNK 0 -21.493 -0.091 -0.470 0.00 0.00 C+0 HETATM 7 C UNK 0 -20.164 -0.104 -1.100 0.00 0.00 C+0 HETATM 8 C UNK 0 -18.991 0.329 -0.357 0.00 0.00 C+0 HETATM 9 C UNK 0 -18.218 1.349 -0.650 0.00 0.00 C+0 HETATM 10 C UNK 0 -18.536 2.182 -1.859 0.00 0.00 C+0 HETATM 11 C UNK 0 -17.018 1.750 0.158 0.00 0.00 C+0 HETATM 12 C UNK 0 -15.774 1.723 -0.637 0.00 0.00 C+0 HETATM 13 C UNK 0 -15.321 0.454 -1.251 0.00 0.00 C+0 HETATM 14 O UNK 0 -14.119 0.836 -1.974 0.00 0.00 O+0 HETATM 15 C UNK 0 -14.936 -0.660 -0.346 0.00 0.00 C+0 HETATM 16 C UNK 0 -16.140 -1.444 0.207 0.00 0.00 C+0 HETATM 17 O UNK 0 -14.338 -1.641 -1.206 0.00 0.00 O+0 HETATM 18 C UNK 0 -14.004 -0.398 0.757 0.00 0.00 C+0 HETATM 19 C UNK 0 -12.679 0.127 0.290 0.00 0.00 C+0 HETATM 20 C UNK 0 -11.710 0.319 1.440 0.00 0.00 C+0 HETATM 21 C UNK 0 -10.411 0.879 0.994 0.00 0.00 C+0 HETATM 22 C UNK 0 -9.506 1.037 2.206 0.00 0.00 C+0 HETATM 23 O UNK 0 -10.517 2.156 0.441 0.00 0.00 O+0 HETATM 24 C UNK 0 -9.711 0.003 -0.057 0.00 0.00 C+0 HETATM 25 C UNK 0 -8.420 0.624 -0.453 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.646 -0.078 -1.474 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.131 -1.450 -1.234 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.324 -2.454 -1.041 0.00 0.00 C+0 HETATM 29 O UNK 0 -6.487 -1.585 -0.001 0.00 0.00 O+0 HETATM 30 C UNK 0 -6.412 -1.943 -2.417 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.293 -1.377 -3.103 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.960 -1.071 -2.634 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.556 -0.027 -1.706 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.994 0.020 -0.314 0.00 0.00 C+0 HETATM 35 O UNK 0 -3.922 1.271 -2.303 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.991 0.053 -1.678 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.433 -1.230 -1.232 0.00 0.00 C+0 HETATM 38 C UNK 0 0.020 -1.388 -1.030 0.00 0.00 C+0 HETATM 39 C UNK 0 0.977 -1.343 -2.146 0.00 0.00 C+0 HETATM 40 C UNK 0 0.529 -2.568 -3.055 0.00 0.00 C+0 HETATM 41 O UNK 0 2.251 -1.662 -1.729 0.00 0.00 O+0 HETATM 42 C UNK 0 0.854 -0.127 -3.001 0.00 0.00 C+0 HETATM 43 C UNK 0 1.864 0.019 -4.076 0.00 0.00 C+0 HETATM 44 C UNK 0 3.282 0.271 -3.789 0.00 0.00 C+0 HETATM 45 C UNK 0 3.675 1.571 -3.201 0.00 0.00 C+0 HETATM 46 C UNK 0 5.204 1.587 -3.018 0.00 0.00 C+0 HETATM 47 O UNK 0 3.500 2.531 -4.268 0.00 0.00 O+0 HETATM 48 C UNK 0 3.021 2.134 -2.034 0.00 0.00 C+0 HETATM 49 C UNK 0 2.989 1.507 -0.715 0.00 0.00 C+0 HETATM 50 C UNK 0 4.333 1.382 0.022 0.00 0.00 C+0 HETATM 51 C UNK 0 4.124 0.672 1.325 0.00 0.00 C+0 HETATM 52 C UNK 0 3.659 -0.744 1.051 0.00 0.00 C+0 HETATM 53 O UNK 0 2.970 1.272 1.971 0.00 0.00 O+0 HETATM 54 C UNK 0 5.178 0.702 2.343 0.00 0.00 C+0 HETATM 55 C UNK 0 6.534 0.165 2.095 0.00 0.00 C+0 HETATM 56 C UNK 0 7.246 0.224 3.476 0.00 0.00 C+0 HETATM 57 C UNK 0 7.295 1.556 4.064 0.00 0.00 C+0 HETATM 58 C UNK 0 8.019 1.263 5.473 0.00 0.00 C+0 HETATM 59 O UNK 0 6.032 1.997 4.517 0.00 0.00 O+0 HETATM 60 C UNK 0 8.030 2.645 3.454 0.00 0.00 C+0 HETATM 61 C UNK 0 9.415 2.871 3.275 0.00 0.00 C+0 HETATM 62 C UNK 0 10.609 2.392 2.692 0.00 0.00 C+0 HETATM 63 C UNK 0 11.270 1.098 2.975 0.00 0.00 C+0 HETATM 64 C UNK 0 10.706 -0.166 2.584 0.00 0.00 C+0 HETATM 65 O UNK 0 11.148 1.009 4.498 0.00 0.00 O+0 HETATM 66 C UNK 0 12.762 1.225 2.920 0.00 0.00 C+0 HETATM 67 C UNK 0 13.444 -0.072 3.183 0.00 0.00 C+0 HETATM 68 C UNK 0 14.932 0.284 3.423 0.00 0.00 C+0 HETATM 69 C UNK 0 15.726 -0.941 3.671 0.00 0.00 C+0 HETATM 70 C UNK 0 17.139 -0.361 4.075 0.00 0.00 C+0 HETATM 71 O UNK 0 15.286 -1.674 4.740 0.00 0.00 O+0 HETATM 72 C UNK 0 15.996 -1.819 2.499 0.00 0.00 C+0 HETATM 73 C UNK 0 16.858 -1.379 1.404 0.00 0.00 C+0 HETATM 74 C UNK 0 16.615 -0.185 0.588 0.00 0.00 C+0 HETATM 75 C UNK 0 17.743 0.012 -0.450 0.00 0.00 C+0 HETATM 76 C UNK 0 19.023 0.180 0.384 0.00 0.00 C+0 HETATM 77 O UNK 0 17.501 1.247 -1.068 0.00 0.00 O+0 HETATM 78 C UNK 0 17.900 -1.058 -1.435 0.00 0.00 C+0 HETATM 79 C UNK 0 16.655 -1.229 -2.272 0.00 0.00 C+0 HETATM 80 C UNK 0 16.895 -2.297 -3.302 0.00 0.00 C+0 HETATM 81 C UNK 0 16.886 -2.039 -4.600 0.00 0.00 C+0 HETATM 82 C UNK 0 17.118 -3.062 -5.635 0.00 0.00 C+0 HETATM 83 C UNK 0 16.616 -0.622 -5.046 0.00 0.00 C+0 HETATM 84 H UNK 0 -24.509 0.526 1.898 0.00 0.00 H+0 HETATM 85 H UNK 0 -22.802 1.192 1.627 0.00 0.00 H+0 HETATM 86 H UNK 0 -23.706 -1.699 1.079 0.00 0.00 H+0 HETATM 87 H UNK 0 -20.016 -0.916 2.251 0.00 0.00 H+0 HETATM 88 H UNK 0 -20.523 0.734 1.564 0.00 0.00 H+0 HETATM 89 H UNK 0 -21.555 -0.186 2.763 0.00 0.00 H+0 HETATM 90 H UNK 0 -21.436 -2.522 -0.395 0.00 0.00 H+0 HETATM 91 H UNK 0 -21.832 0.967 -0.246 0.00 0.00 H+0 HETATM 92 H UNK 0 -22.232 -0.454 -1.237 0.00 0.00 H+0 HETATM 93 H UNK 0 -20.254 0.421 -2.096 0.00 0.00 H+0 HETATM 94 H UNK 0 -19.974 -1.184 -1.438 0.00 0.00 H+0 HETATM 95 H UNK 0 -18.674 -0.228 0.549 0.00 0.00 H+0 HETATM 96 H UNK 0 -19.584 2.544 -1.790 0.00 0.00 H+0 HETATM 97 H UNK 0 -18.303 1.683 -2.803 0.00 0.00 H+0 HETATM 98 H UNK 0 -17.919 3.128 -1.873 0.00 0.00 H+0 HETATM 99 H UNK 0 -17.285 2.830 0.451 0.00 0.00 H+0 HETATM 100 H UNK 0 -17.049 1.210 1.097 0.00 0.00 H+0 HETATM 101 H UNK 0 -14.920 2.249 -0.086 0.00 0.00 H+0 HETATM 102 H UNK 0 -15.940 2.436 -1.505 0.00 0.00 H+0 HETATM 103 H UNK 0 -16.003 0.131 -2.023 0.00 0.00 H+0 HETATM 104 H UNK 0 -14.217 1.792 -2.183 0.00 0.00 H+0 HETATM 105 H UNK 0 -16.915 -1.598 -0.563 0.00 0.00 H+0 HETATM 106 H UNK 0 -15.788 -2.494 0.460 0.00 0.00 H+0 HETATM 107 H UNK 0 -16.480 -1.045 1.171 0.00 0.00 H+0 HETATM 108 H UNK 0 -13.928 -1.234 -1.986 0.00 0.00 H+0 HETATM 109 H UNK 0 -14.424 0.190 1.602 0.00 0.00 H+0 HETATM 110 H UNK 0 -13.773 -1.401 1.238 0.00 0.00 H+0 HETATM 111 H UNK 0 -12.190 -0.516 -0.456 0.00 0.00 H+0 HETATM 112 H UNK 0 -12.792 1.139 -0.206 0.00 0.00 H+0 HETATM 113 H UNK 0 -11.528 -0.630 1.996 0.00 0.00 H+0 HETATM 114 H UNK 0 -12.136 1.015 2.199 0.00 0.00 H+0 HETATM 115 H UNK 0 -9.206 0.050 2.597 0.00 0.00 H+0 HETATM 116 H UNK 0 -8.679 1.716 1.954 0.00 0.00 H+0 HETATM 117 H UNK 0 -10.127 1.534 2.977 0.00 0.00 H+0 HETATM 118 H UNK 0 -10.463 2.815 1.197 0.00 0.00 H+0 HETATM 119 H UNK 0 -10.321 -0.122 -0.971 0.00 0.00 H+0 HETATM 120 H UNK 0 -9.617 -0.979 0.429 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.738 0.737 0.451 0.00 0.00 H+0 HETATM 122 H UNK 0 -8.594 1.716 -0.737 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.759 0.558 -1.754 0.00 0.00 H+0 HETATM 124 H UNK 0 -8.223 -0.126 -2.455 0.00 0.00 H+0 HETATM 125 H UNK 0 -8.415 -2.777 -0.012 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.973 -3.388 -1.595 0.00 0.00 H+0 HETATM 127 H UNK 0 -9.208 -2.135 -1.569 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.067 -1.292 0.721 0.00 0.00 H+0 HETATM 129 H UNK 0 -6.145 -3.046 -2.143 0.00 0.00 H+0 HETATM 130 H UNK 0 -7.273 -2.183 -3.189 0.00 0.00 H+0 HETATM 131 H UNK 0 -5.643 -0.379 -3.654 0.00 0.00 H+0 HETATM 132 H UNK 0 -5.196 -2.024 -4.105 0.00 0.00 H+0 HETATM 133 H UNK 0 -3.557 -2.065 -2.145 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.288 -1.038 -3.575 0.00 0.00 H+0 HETATM 135 H UNK 0 -4.970 0.542 -0.184 0.00 0.00 H+0 HETATM 136 H UNK 0 -3.950 -0.959 0.156 0.00 0.00 H+0 HETATM 137 H UNK 0 -3.287 0.657 0.319 0.00 0.00 H+0 HETATM 138 H UNK 0 -4.052 1.892 -1.548 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.730 0.898 -0.971 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.769 0.388 -2.691 0.00 0.00 H+0 HETATM 141 H UNK 0 -1.718 -2.012 -2.015 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.012 -1.591 -0.331 0.00 0.00 H+0 HETATM 143 H UNK 0 0.146 -2.436 -0.563 0.00 0.00 H+0 HETATM 144 H UNK 0 0.366 -0.707 -0.166 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.345 -2.256 -3.646 0.00 0.00 H+0 HETATM 146 H UNK 0 1.409 -2.885 -3.630 0.00 0.00 H+0 HETATM 147 H UNK 0 0.244 -3.394 -2.385 0.00 0.00 H+0 HETATM 148 H UNK 0 2.288 -2.420 -1.117 0.00 0.00 H+0 HETATM 149 H UNK 0 0.561 0.729 -2.430 0.00 0.00 H+0 HETATM 150 H UNK 0 -0.096 -0.374 -3.633 0.00 0.00 H+0 HETATM 151 H UNK 0 1.821 -0.949 -4.675 0.00 0.00 H+0 HETATM 152 H UNK 0 1.468 0.767 -4.821 0.00 0.00 H+0 HETATM 153 H UNK 0 3.804 0.233 -4.801 0.00 0.00 H+0 HETATM 154 H UNK 0 3.772 -0.609 -3.266 0.00 0.00 H+0 HETATM 155 H UNK 0 5.531 2.320 -2.285 0.00 0.00 H+0 HETATM 156 H UNK 0 5.585 0.567 -2.803 0.00 0.00 H+0 HETATM 157 H UNK 0 5.716 1.868 -3.974 0.00 0.00 H+0 HETATM 158 H UNK 0 2.520 2.565 -4.372 0.00 0.00 H+0 HETATM 159 H UNK 0 3.530 3.173 -1.838 0.00 0.00 H+0 HETATM 160 H UNK 0 1.968 2.523 -2.240 0.00 0.00 H+0 HETATM 161 H UNK 0 2.459 2.291 -0.040 0.00 0.00 H+0 HETATM 162 H UNK 0 2.344 0.639 -0.561 0.00 0.00 H+0 HETATM 163 H UNK 0 5.085 0.818 -0.533 0.00 0.00 H+0 HETATM 164 H UNK 0 4.755 2.382 0.258 0.00 0.00 H+0 HETATM 165 H UNK 0 3.875 -1.387 1.931 0.00 0.00 H+0 HETATM 166 H UNK 0 2.578 -0.747 0.869 0.00 0.00 H+0 HETATM 167 H UNK 0 4.181 -1.158 0.149 0.00 0.00 H+0 HETATM 168 H UNK 0 2.768 0.627 2.672 0.00 0.00 H+0 HETATM 169 H UNK 0 5.289 1.841 2.575 0.00 0.00 H+0 HETATM 170 H UNK 0 4.759 0.280 3.283 0.00 0.00 H+0 HETATM 171 H UNK 0 7.134 0.622 1.317 0.00 0.00 H+0 HETATM 172 H UNK 0 6.468 -0.928 1.898 0.00 0.00 H+0 HETATM 173 H UNK 0 8.135 -0.403 3.478 0.00 0.00 H+0 HETATM 174 H UNK 0 6.511 -0.414 4.116 0.00 0.00 H+0 HETATM 175 H UNK 0 7.194 0.967 6.121 0.00 0.00 H+0 HETATM 176 H UNK 0 8.435 2.212 5.760 0.00 0.00 H+0 HETATM 177 H UNK 0 8.683 0.419 5.342 0.00 0.00 H+0 HETATM 178 H UNK 0 6.060 2.372 5.411 0.00 0.00 H+0 HETATM 179 H UNK 0 7.516 3.632 3.879 0.00 0.00 H+0 HETATM 180 H UNK 0 7.510 2.742 2.379 0.00 0.00 H+0 HETATM 181 H UNK 0 9.795 3.259 4.406 0.00 0.00 H+0 HETATM 182 H UNK 0 9.412 4.054 2.900 0.00 0.00 H+0 HETATM 183 H UNK 0 10.550 2.466 1.516 0.00 0.00 H+0 HETATM 184 H UNK 0 11.459 3.211 2.818 0.00 0.00 H+0 HETATM 185 H UNK 0 9.817 -0.033 1.880 0.00 0.00 H+0 HETATM 186 H UNK 0 11.419 -0.817 1.962 0.00 0.00 H+0 HETATM 187 H UNK 0 10.432 -0.840 3.435 0.00 0.00 H+0 HETATM 188 H UNK 0 11.525 1.909 4.744 0.00 0.00 H+0 HETATM 189 H UNK 0 13.134 1.982 3.655 0.00 0.00 H+0 HETATM 190 H UNK 0 13.007 1.569 1.872 0.00 0.00 H+0 HETATM 191 H UNK 0 13.066 -0.558 4.089 0.00 0.00 H+0 HETATM 192 H UNK 0 13.382 -0.781 2.349 0.00 0.00 H+0 HETATM 193 H UNK 0 15.235 0.903 2.592 0.00 0.00 H+0 HETATM 194 H UNK 0 14.903 0.949 4.336 0.00 0.00 H+0 HETATM 195 H UNK 0 17.562 -1.127 4.743 0.00 0.00 H+0 HETATM 196 H UNK 0 16.953 0.548 4.682 0.00 0.00 H+0 HETATM 197 H UNK 0 17.771 -0.239 3.210 0.00 0.00 H+0 HETATM 198 H UNK 0 14.722 -1.180 5.383 0.00 0.00 H+0 HETATM 199 H UNK 0 14.997 -2.095 2.043 0.00 0.00 H+0 HETATM 200 H UNK 0 16.381 -2.823 2.848 0.00 0.00 H+0 HETATM 201 H UNK 0 16.806 -2.262 0.635 0.00 0.00 H+0 HETATM 202 H UNK 0 17.978 -1.486 1.668 0.00 0.00 H+0 HETATM 203 H UNK 0 16.799 0.748 1.236 0.00 0.00 H+0 HETATM 204 H UNK 0 15.676 -0.136 0.036 0.00 0.00 H+0 HETATM 205 H UNK 0 19.752 0.774 -0.230 0.00 0.00 H+0 HETATM 206 H UNK 0 19.520 -0.775 0.589 0.00 0.00 H+0 HETATM 207 H UNK 0 18.816 0.747 1.311 0.00 0.00 H+0 HETATM 208 H UNK 0 18.052 1.935 -0.655 0.00 0.00 H+0 HETATM 209 H UNK 0 18.134 -2.033 -0.920 0.00 0.00 H+0 HETATM 210 H UNK 0 18.727 -0.881 -2.158 0.00 0.00 H+0 HETATM 211 H UNK 0 16.427 -0.284 -2.768 0.00 0.00 H+0 HETATM 212 H UNK 0 15.802 -1.531 -1.613 0.00 0.00 H+0 HETATM 213 H UNK 0 17.078 -3.295 -2.958 0.00 0.00 H+0 HETATM 214 H UNK 0 17.303 -4.052 -5.205 0.00 0.00 H+0 HETATM 215 H UNK 0 16.257 -3.057 -6.340 0.00 0.00 H+0 HETATM 216 H UNK 0 18.038 -2.789 -6.214 0.00 0.00 H+0 HETATM 217 H UNK 0 16.721 -0.549 -6.151 0.00 0.00 H+0 HETATM 218 H UNK 0 15.540 -0.437 -4.798 0.00 0.00 H+0 HETATM 219 H UNK 0 17.276 0.090 -4.548 0.00 0.00 H+0 CONECT 1 2 84 85 CONECT 2 1 3 86 CONECT 3 2 4 5 6 CONECT 4 3 87 88 89 CONECT 5 3 90 CONECT 6 3 7 91 92 CONECT 7 6 8 93 94 CONECT 8 7 9 95 CONECT 9 8 10 11 CONECT 10 9 96 97 98 CONECT 11 9 12 99 100 CONECT 12 11 13 101 102 CONECT 13 12 14 15 103 CONECT 14 13 104 CONECT 15 13 16 17 18 CONECT 16 15 105 106 107 CONECT 17 15 108 CONECT 18 15 19 109 110 CONECT 19 18 20 111 112 CONECT 20 19 21 113 114 CONECT 21 20 22 23 24 CONECT 22 21 115 116 117 CONECT 23 21 118 CONECT 24 21 25 119 120 CONECT 25 24 26 121 122 CONECT 26 25 27 123 124 CONECT 27 26 28 29 30 CONECT 28 27 125 126 127 CONECT 29 27 128 CONECT 30 27 31 129 130 CONECT 31 30 32 131 132 CONECT 32 31 33 133 134 CONECT 33 32 34 35 36 CONECT 34 33 135 136 137 CONECT 35 33 138 CONECT 36 33 37 139 140 CONECT 37 36 38 141 142 CONECT 38 37 39 143 144 CONECT 39 38 40 41 42 CONECT 40 39 145 146 147 CONECT 41 39 148 CONECT 42 39 43 149 150 CONECT 43 42 44 151 152 CONECT 44 43 45 153 154 CONECT 45 44 46 47 48 CONECT 46 45 155 156 157 CONECT 47 45 158 CONECT 48 45 49 159 160 CONECT 49 48 50 161 162 CONECT 50 49 51 163 164 CONECT 51 50 52 53 54 CONECT 52 51 165 166 167 CONECT 53 51 168 CONECT 54 51 55 169 170 CONECT 55 54 56 171 172 CONECT 56 55 57 173 174 CONECT 57 56 58 59 60 CONECT 58 57 175 176 177 CONECT 59 57 178 CONECT 60 57 61 179 180 CONECT 61 60 62 181 182 CONECT 62 61 63 183 184 CONECT 63 62 64 65 66 CONECT 64 63 185 186 187 CONECT 65 63 188 CONECT 66 63 67 189 190 CONECT 67 66 68 191 192 CONECT 68 67 69 193 194 CONECT 69 68 70 71 72 CONECT 70 69 195 196 197 CONECT 71 69 198 CONECT 72 69 73 199 200 CONECT 73 72 74 201 202 CONECT 74 73 75 203 204 CONECT 75 74 76 77 78 CONECT 76 75 205 206 207 CONECT 77 75 208 CONECT 78 75 79 209 210 CONECT 79 78 80 211 212 CONECT 80 79 81 213 CONECT 81 80 82 83 CONECT 82 81 214 215 216 CONECT 83 81 217 218 219 CONECT 84 1 CONECT 85 1 CONECT 86 2 CONECT 87 4 CONECT 88 4 CONECT 89 4 CONECT 90 5 CONECT 91 6 CONECT 92 6 CONECT 93 7 CONECT 94 7 CONECT 95 8 CONECT 96 10 CONECT 97 10 CONECT 98 10 CONECT 99 11 CONECT 100 11 CONECT 101 12 CONECT 102 12 CONECT 103 13 CONECT 104 14 CONECT 105 16 CONECT 106 16 CONECT 107 16 CONECT 108 17 CONECT 109 18 CONECT 110 18 CONECT 111 19 CONECT 112 19 CONECT 113 20 CONECT 114 20 CONECT 115 22 CONECT 116 22 CONECT 117 22 CONECT 118 23 CONECT 119 24 CONECT 120 24 CONECT 121 25 CONECT 122 25 CONECT 123 26 CONECT 124 26 CONECT 125 28 CONECT 126 28 CONECT 127 28 CONECT 128 29 CONECT 129 30 CONECT 130 30 CONECT 131 31 CONECT 132 31 CONECT 133 32 CONECT 134 32 CONECT 135 34 CONECT 136 34 CONECT 137 34 CONECT 138 35 CONECT 139 36 CONECT 140 36 CONECT 141 37 CONECT 142 37 CONECT 143 38 CONECT 144 38 CONECT 145 40 CONECT 146 40 CONECT 147 40 CONECT 148 41 CONECT 149 42 CONECT 150 42 CONECT 151 43 CONECT 152 43 CONECT 153 44 CONECT 154 44 CONECT 155 46 CONECT 156 46 CONECT 157 46 CONECT 158 47 CONECT 159 48 CONECT 160 48 CONECT 161 49 CONECT 162 49 CONECT 163 50 CONECT 164 50 CONECT 165 52 CONECT 166 52 CONECT 167 52 CONECT 168 53 CONECT 169 54 CONECT 170 54 CONECT 171 55 CONECT 172 55 CONECT 173 56 CONECT 174 56 CONECT 175 58 CONECT 176 58 CONECT 177 58 CONECT 178 59 CONECT 179 60 CONECT 180 60 CONECT 181 61 CONECT 182 61 CONECT 183 62 CONECT 184 62 CONECT 185 64 CONECT 186 64 CONECT 187 64 CONECT 188 65 CONECT 189 66 CONECT 190 66 CONECT 191 67 CONECT 192 67 CONECT 193 68 CONECT 194 68 CONECT 195 70 CONECT 196 70 CONECT 197 70 CONECT 198 71 CONECT 199 72 CONECT 200 72 CONECT 201 73 CONECT 202 73 CONECT 203 74 CONECT 204 74 CONECT 205 76 CONECT 206 76 CONECT 207 76 CONECT 208 77 CONECT 209 78 CONECT 210 78 CONECT 211 79 CONECT 212 79 CONECT 213 80 CONECT 214 82 CONECT 215 82 CONECT 216 82 CONECT 217 83 CONECT 218 83 CONECT 219 83 MASTER 0 0 0 0 0 0 0 0 219 0 436 0 END SMILES for NP0001830 (Hypsiziprenol-AA14)[H]O[C@]([H])(C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@](O[H])(C([H])=C([H])[H])C([H])([H])[H])\C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] INCHI for NP0001830 (Hypsiziprenol-AA14)InChI=1S/C70H136O13/c1-17-59(5,72)34-19-31-57(4)32-33-58(71)70(16,83)55-29-54-69(15,82)53-28-52-68(14,81)51-27-50-67(13,80)49-26-48-66(12,79)47-25-46-65(11,78)45-24-44-64(10,77)43-23-42-63(9,76)41-22-40-62(8,75)39-21-38-61(7,74)37-20-36-60(6,73)35-18-30-56(2)3/h17,30-31,58,71-83H,1,18-29,32-55H2,2-16H3/b57-31+/t58-,59-,60-,61+,62-,63-,64-,65+,66-,67-,68-,69-,70+/m1/s1 3D Structure for NP0001830 (Hypsiziprenol-AA14) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C70H136O13 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1185.8450 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1184.99809 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3S,6E,10R,11S,15R,19R,23R,27R,31S,35S,39S,43S,47R,51S)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-1,6,54-triene-3,10,11,15,19,23,27,31,35,39,43,47,51-tridecol | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3S,6E,10R,11S,15R,19R,23R,27R,31S,35S,39S,43S,47R,51S)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-1,6,54-triene-3,10,11,15,19,23,27,31,35,39,43,47,51-tridecol | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\C(C)=C\CCC(C)(O)C=C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C70H136O13/c1-17-59(5,72)34-19-31-57(4)32-33-58(71)70(16,83)55-29-54-69(15,82)53-28-52-68(14,81)51-27-50-67(13,80)49-26-48-66(12,79)47-25-46-65(11,78)45-24-44-64(10,77)43-23-42-63(9,76)41-22-40-62(8,75)39-21-38-61(7,74)37-20-36-60(6,73)35-18-30-56(2)3/h17,30-31,58,71-83H,1,18-29,32-55H2,2-16H3/b57-31+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | BKNRTVSTQAFBDO-PHZVCHTISA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA000853 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 9019236 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 10843942 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
