Showing NP-Card for Hypsiziprenol-B10 (NP0001833)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-10-21 16:45:59 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0001833 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Hypsiziprenol-B10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol belongs to the class of organic compounds known as polyterpenoids. These are terpenoids consisting of more than eight isoprene units. Hypsiziprenol-B10 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,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0001833 (Hypsiziprenol-B10)
Mrv1652307012117063D
151150 0 0 0 0 999 V2000
-17.8211 0.2660 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7183 0.8967 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4355 0.1197 -1.0245 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.6378 0.5375 -2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6389 -1.2351 -1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.7072 0.5944 0.2054 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3902 -0.1224 0.3913 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6827 0.3612 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4685 0.9420 1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9228 1.0592 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7378 1.4755 2.6248 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.4566 0.7996 2.9078 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4309 0.7911 1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2668 1.3789 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0582 2.0614 3.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1374 1.3907 1.0648 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2662 0.5947 -0.1619 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3816 -0.8550 -0.1935 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2515 -1.7157 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7638 -3.1699 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2225 -1.5076 -0.7112 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7711 -1.5059 1.6011 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6505 -2.4484 1.9909 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3979 -2.3804 1.2229 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6004 -1.1411 1.3297 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0967 -0.8519 2.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3465 0.0212 0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4565 -1.1798 0.2890 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4063 -2.3459 0.5268 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5121 -2.6608 -0.3871 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6063 -1.6723 -0.6435 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2839 -1.2761 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6367 -2.4564 -1.3258 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1673 -0.6174 -1.5744 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1439 0.4270 -1.9932 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7855 1.2555 -0.9568 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6422 2.3315 -1.6932 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3045 3.0821 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 3.1330 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4515 1.7004 -2.7349 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3594 2.4637 -3.5757 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5266 3.2120 -3.2018 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7305 2.5558 -2.5965 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7277 3.7509 -2.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3534 1.7069 -3.5051 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4451 1.9699 -1.2731 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6158 1.2955 -0.5788 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2019 0.1562 -1.2888 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3482 -0.4468 -0.4671 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7337 -0.8865 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7789 -1.5542 -1.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4441 0.5599 -0.3058 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6563 0.0856 0.4419 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4389 -0.3794 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8459 -1.6005 2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5019 -2.4743 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6137 -2.0604 3.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.7518 0.7763 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7985 -0.7875 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7553 1.9552 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3532 0.7742 -3.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9340 -0.2383 -2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0753 1.4663 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8944 -1.6701 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3010 0.4475 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5085 1.6754 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6712 -1.2054 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7656 -0.1601 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1036 0.2639 2.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.5834 0.1441 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1073 1.8392 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5310 2.5507 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4254 1.4308 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6315 -0.2876 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0558 1.2380 3.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6167 0.3156 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8391 2.8345 3.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0421 1.3011 4.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0834 2.5899 3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1776 1.4450 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.6897 -3.3047 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.5551 -1.4361 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3916 -0.4973 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5727 -1.6644 2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4017 -2.1689 3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0443 -3.5022 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4800 -2.7346 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -3.1993 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8888 -0.2744 3.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9878 -1.7930 3.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1343 -0.2885 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6913 0.7435 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 -1.0760 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0598 -0.1973 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -3.2619 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 -2.3728 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 -3.6018 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1486 -2.9832 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.9541 -2.0521 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 -1.4015 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8046 -3.2234 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 -1.1902 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -0.1366 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 1.0555 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.0849 1.8434 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4849 0.7128 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5484 3.5286 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9740 3.8905 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8848 2.3221 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9553 4.0373 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7970 0.6788 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6577 1.3082 -3.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6965 1.7255 -4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6891 3.1497 -4.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9557 3.6517 -4.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3716 4.1574 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6765 3.4005 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2455 4.5825 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9180 4.0766 -3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7406 1.5572 -4.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1509 2.7873 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6678 1.1986 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1682 0.8988 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3097 2.0891 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5307 0.3028 -2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4424 -0.6763 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6330 -1.0556 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1664 -1.8295 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7734 -0.0345 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5624 -1.2264 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0808 1.4592 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8320 0.9101 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1495 -0.6667 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3600 0.9774 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9477 0.2944 2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4850 -2.0204 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6273 -3.4845 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9311 -2.6451 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2117 -3.0947 3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8743 -1.4499 4.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5817 -1.9959 4.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
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3 4 1 0 0 0 0
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3 6 1 0 0 0 0
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2 60 1 0 0 0 0
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10 71 1 0 0 0 0
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12 75 1 0 0 0 0
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57151 1 0 0 0 0
M END
3D MOL for NP0001833 (Hypsiziprenol-B10)
RDKit 3D
151150 0 0 0 0 0 0 0 0999 V2000
-17.8211 0.2660 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7183 0.8967 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4355 0.1197 -1.0245 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.6378 0.5375 -2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6389 -1.2351 -1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.7072 0.5944 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3902 -0.1224 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6827 0.3612 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4685 0.9420 1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9228 1.0592 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7378 1.4755 2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4566 0.7996 2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4309 0.7911 1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2668 1.3789 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0582 2.0614 3.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1374 1.3907 1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2662 0.5947 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3816 -0.8550 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2515 -1.7157 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7638 -3.1699 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2225 -1.5076 -0.7112 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7711 -1.5059 1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6505 -2.4484 1.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3979 -2.3804 1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -1.1411 1.3297 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0967 -0.8519 2.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3465 0.0212 0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4565 -1.1798 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 -2.3459 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5121 -2.6608 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6063 -1.6723 -0.6435 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2839 -1.2761 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6367 -2.4564 -1.3258 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1673 -0.6174 -1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1439 0.4270 -1.9932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7855 1.2555 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6422 2.3315 -1.6932 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3045 3.0821 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 3.1330 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4515 1.7004 -2.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3594 2.4637 -3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5266 3.2120 -3.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7305 2.5558 -2.5965 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7277 3.7509 -2.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3534 1.7069 -3.5051 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4451 1.9699 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6158 1.2955 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2019 0.1562 -1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3482 -0.4468 -0.4671 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7337 -0.8865 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7789 -1.5542 -1.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4441 0.5599 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6563 0.0856 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4389 -0.3794 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8459 -1.6005 2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5019 -2.4743 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6137 -2.0604 3.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.7518 0.7763 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7985 -0.7875 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7553 1.9552 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.3850 -1.4015 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.9592 -1.1902 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6798 1.0555 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9484 -0.1668 -2.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0849 1.8434 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4849 0.7128 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5484 3.5286 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9740 3.8905 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8848 2.3221 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.7970 0.6788 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6577 1.3082 -3.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6965 1.7255 -4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6891 3.1497 -4.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9557 3.6517 -4.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.6765 3.4005 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.3097 2.0891 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
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12.8743 -1.4499 4.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5817 -1.9959 4.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
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6 7 1 0
7 8 1 0
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12 13 1 0
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25 28 1 0
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30 31 1 0
31 32 1 0
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31 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
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37 40 1 0
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43 46 1 0
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49 52 1 0
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54 55 2 3
55 56 1 0
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1 58 1 0
1 59 1 0
2 60 1 0
4 61 1 0
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15 78 1 0
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30105 1 0
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32107 1 0
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40121 1 0
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56148 1 0
57149 1 0
57150 1 0
57151 1 0
M END
3D SDF for NP0001833 (Hypsiziprenol-B10)
Mrv1652307012117063D
151150 0 0 0 0 999 V2000
-17.8211 0.2660 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
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-9.4566 0.7996 2.9078 C 0 0 2 0 0 0 0 0 0 0 0 0
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-7.2668 1.3789 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0582 2.0614 3.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1374 1.3907 1.0648 C 0 0 2 0 0 0 0 0 0 0 0 0
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3.1439 0.4270 -1.9932 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7855 1.2555 -0.9568 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6422 2.3315 -1.6932 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3045 3.0821 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 3.1330 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4515 1.7004 -2.7349 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3594 2.4637 -3.5757 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5266 3.2120 -3.2018 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7305 2.5558 -2.5965 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7277 3.7509 -2.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3534 1.7069 -3.5051 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4451 1.9699 -1.2731 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6158 1.2955 -0.5788 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2019 0.1562 -1.2888 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3482 -0.4468 -0.4671 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7337 -0.8865 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7789 -1.5542 -1.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4441 0.5599 -0.3058 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6563 0.0856 0.4419 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4389 -0.3794 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8459 -1.6005 2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5019 -2.4743 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6137 -2.0604 3.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.7518 0.7763 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
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-13.6712 -1.2054 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
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-13.1036 0.2639 2.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.5834 0.1441 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1073 1.8392 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5310 2.5507 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.0598 -0.1973 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -3.2619 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.6765 3.4005 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 3 0 0 0
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40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 6 0 0 0
43 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 6 0 0 0
49 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 3 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
1 58 1 0 0 0 0
1 59 1 0 0 0 0
2 60 1 0 0 0 0
4 61 1 0 0 0 0
4 62 1 0 0 0 0
4 63 1 0 0 0 0
5 64 1 0 0 0 0
6 65 1 0 0 0 0
6 66 1 0 0 0 0
7 67 1 0 0 0 0
7 68 1 0 0 0 0
8 69 1 0 0 0 0
10 70 1 0 0 0 0
10 71 1 0 0 0 0
10 72 1 0 0 0 0
11 73 1 0 0 0 0
11 74 1 0 0 0 0
12 75 1 0 0 0 0
12 76 1 0 0 0 0
13 77 1 0 0 0 0
15 78 1 0 0 0 0
15 79 1 0 0 0 0
15 80 1 0 0 0 0
16 81 1 0 0 0 0
16 82 1 0 0 0 0
17 83 1 0 0 0 0
17 84 1 0 0 0 0
18 85 1 0 0 0 0
18 86 1 0 0 0 0
20 87 1 0 0 0 0
20 88 1 0 0 0 0
20 89 1 0 0 0 0
21 90 1 0 0 0 0
22 91 1 0 0 0 0
22 92 1 0 0 0 0
23 93 1 0 0 0 0
23 94 1 0 0 0 0
24 95 1 0 0 0 0
24 96 1 0 0 0 0
26 97 1 0 0 0 0
26 98 1 0 0 0 0
26 99 1 0 0 0 0
27100 1 0 0 0 0
28101 1 0 0 0 0
28102 1 0 0 0 0
29103 1 0 0 0 0
29104 1 0 0 0 0
30105 1 0 0 0 0
30106 1 0 0 0 0
32107 1 0 0 0 0
32108 1 0 0 0 0
32109 1 0 0 0 0
33110 1 0 0 0 0
34111 1 0 0 0 0
34112 1 0 0 0 0
35113 1 0 0 0 0
35114 1 0 0 0 0
36115 1 0 0 0 0
36116 1 0 0 0 0
38117 1 0 0 0 0
38118 1 0 0 0 0
38119 1 0 0 0 0
39120 1 0 0 0 0
40121 1 0 0 0 0
40122 1 0 0 0 0
41123 1 0 0 0 0
41124 1 0 0 0 0
42125 1 0 0 0 0
42126 1 0 0 0 0
44127 1 0 0 0 0
44128 1 0 0 0 0
44129 1 0 0 0 0
45130 1 0 0 0 0
46131 1 0 0 0 0
46132 1 0 0 0 0
47133 1 0 0 0 0
47134 1 0 0 0 0
48135 1 0 0 0 0
48136 1 0 0 0 0
50137 1 0 0 0 0
50138 1 0 0 0 0
50139 1 0 0 0 0
51140 1 0 0 0 0
52141 1 0 0 0 0
52142 1 0 0 0 0
53143 1 0 0 0 0
53144 1 0 0 0 0
54145 1 0 0 0 0
56146 1 0 0 0 0
56147 1 0 0 0 0
56148 1 0 0 0 0
57149 1 0 0 0 0
57150 1 0 0 0 0
57151 1 0 0 0 0
M END
> <DATABASE_ID>
NP0001833
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/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/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+/t44-,45-,46+,47+,48-,49+,50+/m0/s1
> <INCHI_KEY>
PGKWOUQKDDYJEI-AUNPKQNBSA-N
> <FORMULA>
C50H94O7
> <MOLECULAR_WEIGHT>
807.295
> <EXACT_MASS>
806.699955367
> <JCHEM_ACCEPTOR_COUNT>
7
> <JCHEM_ATOM_COUNT>
151
> <JCHEM_AVERAGE_POLARIZABILITY>
101.51477604213537
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
7
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R,6E,10E,15R,19S,23R,27S,31S,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol
> <ALOGPS_LOGP>
6.20
> <JCHEM_LOGP>
9.999717810666665
> <ALOGPS_LOGS>
-5.85
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
19.302362233146667
> <JCHEM_PKA_STRONGEST_ACIDIC>
18.459388332120984
> <JCHEM_PKA_STRONGEST_BASIC>
-0.09711066998655637
> <JCHEM_POLAR_SURFACE_AREA>
141.61
> <JCHEM_REFRACTIVITY>
246.08200000000002
> <JCHEM_ROTATABLE_BOND_COUNT>
34
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.15e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R,6E,10E,15R,19S,23R,27S,31S,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0001833 (Hypsiziprenol-B10)
RDKit 3D
151150 0 0 0 0 0 0 0 0999 V2000
-17.8211 0.2660 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7183 0.8967 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4355 0.1197 -1.0245 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.6378 0.5375 -2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6389 -1.2351 -1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0
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-10.9228 1.0592 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7378 1.4755 2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
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-7.2668 1.3789 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0582 2.0614 3.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1374 1.3907 1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1673 -0.6174 -1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1439 0.4270 -1.9932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7855 1.2555 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6422 2.3315 -1.6932 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3045 3.0821 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 3.1330 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4515 1.7004 -2.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3594 2.4637 -3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5266 3.2120 -3.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7305 2.5558 -2.5965 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7277 3.7509 -2.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3534 1.7069 -3.5051 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4451 1.9699 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6158 1.2955 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2019 0.1562 -1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3482 -0.4468 -0.4671 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7337 -0.8865 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.4441 0.5599 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6563 0.0856 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4389 -0.3794 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8459 -1.6005 2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5019 -2.4743 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6137 -2.0604 3.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
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-14.0753 1.4663 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
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-13.1036 0.2639 2.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.5310 2.5507 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4254 1.4308 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6315 -0.2876 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0558 1.2380 3.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6167 0.3156 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8391 2.8345 3.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0421 1.3011 4.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.0069 -3.2552 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4017 -2.1689 3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0443 -3.5022 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4800 -2.7346 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -3.1993 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1343 -0.2885 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6913 0.7435 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 -1.0760 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0598 -0.1973 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7019 -2.3728 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 -3.6018 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1486 -2.9832 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9207 -0.3304 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9541 -2.0521 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 -1.4015 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8046 -3.2234 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 -1.1902 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -0.1366 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 1.0555 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9484 -0.1668 -2.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0849 1.8434 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4849 0.7128 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5484 3.5286 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9740 3.8905 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8848 2.3221 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9553 4.0373 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7970 0.6788 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6577 1.3082 -3.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6965 1.7255 -4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6891 3.1497 -4.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9557 3.6517 -4.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3716 4.1574 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6765 3.4005 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2455 4.5825 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9180 4.0766 -3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7406 1.5572 -4.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1509 2.7873 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6678 1.1986 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1682 0.8988 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3097 2.0891 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5307 0.3028 -2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4424 -0.6763 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6330 -1.0556 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1664 -1.8295 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7734 -0.0345 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5624 -1.2264 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0808 1.4592 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8320 0.9101 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1495 -0.6667 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3600 0.9774 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9477 0.2944 2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4850 -2.0204 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
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13.2117 -3.0947 3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8743 -1.4499 4.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5817 -1.9959 4.0703 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 1
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 2 0
14 15 1 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
19 21 1 6
19 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
25 27 1 6
25 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
31 33 1 6
31 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 1 6
37 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
43 45 1 6
43 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
49 51 1 6
49 52 1 0
52 53 1 0
53 54 1 0
54 55 2 3
55 56 1 0
55 57 1 0
1 58 1 0
1 59 1 0
2 60 1 0
4 61 1 0
4 62 1 0
4 63 1 0
5 64 1 0
6 65 1 0
6 66 1 0
7 67 1 0
7 68 1 0
8 69 1 0
10 70 1 0
10 71 1 0
10 72 1 0
11 73 1 0
11 74 1 0
12 75 1 0
12 76 1 0
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15 78 1 0
15 79 1 0
15 80 1 0
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16 82 1 0
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20 87 1 0
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20 89 1 0
21 90 1 0
22 91 1 0
22 92 1 0
23 93 1 0
23 94 1 0
24 95 1 0
24 96 1 0
26 97 1 0
26 98 1 0
26 99 1 0
27100 1 0
28101 1 0
28102 1 0
29103 1 0
29104 1 0
30105 1 0
30106 1 0
32107 1 0
32108 1 0
32109 1 0
33110 1 0
34111 1 0
34112 1 0
35113 1 0
35114 1 0
36115 1 0
36116 1 0
38117 1 0
38118 1 0
38119 1 0
39120 1 0
40121 1 0
40122 1 0
41123 1 0
41124 1 0
42125 1 0
42126 1 0
44127 1 0
44128 1 0
44129 1 0
45130 1 0
46131 1 0
46132 1 0
47133 1 0
47134 1 0
48135 1 0
48136 1 0
50137 1 0
50138 1 0
50139 1 0
51140 1 0
52141 1 0
52142 1 0
53143 1 0
53144 1 0
54145 1 0
56146 1 0
56147 1 0
56148 1 0
57149 1 0
57150 1 0
57151 1 0
M END
PDB for NP0001833 (Hypsiziprenol-B10)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 -17.821 0.266 -1.430 0.00 0.00 C+0 HETATM 2 C UNK 0 -16.718 0.897 -1.097 0.00 0.00 C+0 HETATM 3 C UNK 0 -15.435 0.120 -1.024 0.00 0.00 C+0 HETATM 4 C UNK 0 -14.638 0.538 -2.261 0.00 0.00 C+0 HETATM 5 O UNK 0 -15.639 -1.235 -1.083 0.00 0.00 O+0 HETATM 6 C UNK 0 -14.707 0.594 0.205 0.00 0.00 C+0 HETATM 7 C UNK 0 -13.390 -0.122 0.391 0.00 0.00 C+0 HETATM 8 C UNK 0 -12.683 0.361 1.602 0.00 0.00 C+0 HETATM 9 C UNK 0 -11.469 0.942 1.473 0.00 0.00 C+0 HETATM 10 C UNK 0 -10.923 1.059 0.108 0.00 0.00 C+0 HETATM 11 C UNK 0 -10.738 1.476 2.625 0.00 0.00 C+0 HETATM 12 C UNK 0 -9.457 0.800 2.908 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.431 0.791 1.849 0.00 0.00 C+0 HETATM 14 C UNK 0 -7.267 1.379 2.019 0.00 0.00 C+0 HETATM 15 C UNK 0 -7.058 2.061 3.357 0.00 0.00 C+0 HETATM 16 C UNK 0 -6.137 1.391 1.065 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.266 0.595 -0.162 0.00 0.00 C+0 HETATM 18 C UNK 0 -6.382 -0.855 -0.194 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.252 -1.716 0.227 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.764 -3.170 0.046 0.00 0.00 C+0 HETATM 21 O UNK 0 -4.223 -1.508 -0.711 0.00 0.00 O+0 HETATM 22 C UNK 0 -4.771 -1.506 1.601 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.651 -2.448 1.991 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.398 -2.380 1.223 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.600 -1.141 1.330 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.097 -0.852 2.720 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.346 0.021 0.988 0.00 0.00 O+0 HETATM 28 C UNK 0 -0.457 -1.180 0.289 0.00 0.00 C+0 HETATM 29 C UNK 0 0.406 -2.346 0.527 0.00 0.00 C+0 HETATM 30 C UNK 0 1.512 -2.661 -0.387 0.00 0.00 C+0 HETATM 31 C UNK 0 2.606 -1.672 -0.644 0.00 0.00 C+0 HETATM 32 C UNK 0 3.284 -1.276 0.627 0.00 0.00 C+0 HETATM 33 O UNK 0 3.637 -2.456 -1.326 0.00 0.00 O+0 HETATM 34 C UNK 0 2.167 -0.617 -1.574 0.00 0.00 C+0 HETATM 35 C UNK 0 3.144 0.427 -1.993 0.00 0.00 C+0 HETATM 36 C UNK 0 3.785 1.256 -0.957 0.00 0.00 C+0 HETATM 37 C UNK 0 4.642 2.332 -1.693 0.00 0.00 C+0 HETATM 38 C UNK 0 5.305 3.082 -0.609 0.00 0.00 C+0 HETATM 39 O UNK 0 3.591 3.133 -2.278 0.00 0.00 O+0 HETATM 40 C UNK 0 5.452 1.700 -2.735 0.00 0.00 C+0 HETATM 41 C UNK 0 6.359 2.464 -3.576 0.00 0.00 C+0 HETATM 42 C UNK 0 7.527 3.212 -3.202 0.00 0.00 C+0 HETATM 43 C UNK 0 8.730 2.556 -2.596 0.00 0.00 C+0 HETATM 44 C UNK 0 9.728 3.751 -2.419 0.00 0.00 C+0 HETATM 45 O UNK 0 9.353 1.707 -3.505 0.00 0.00 O+0 HETATM 46 C UNK 0 8.445 1.970 -1.273 0.00 0.00 C+0 HETATM 47 C UNK 0 9.616 1.296 -0.579 0.00 0.00 C+0 HETATM 48 C UNK 0 10.202 0.156 -1.289 0.00 0.00 C+0 HETATM 49 C UNK 0 11.348 -0.447 -0.467 0.00 0.00 C+0 HETATM 50 C UNK 0 10.734 -0.887 0.842 0.00 0.00 C+0 HETATM 51 O UNK 0 11.779 -1.554 -1.217 0.00 0.00 O+0 HETATM 52 C UNK 0 12.444 0.560 -0.306 0.00 0.00 C+0 HETATM 53 C UNK 0 13.656 0.086 0.442 0.00 0.00 C+0 HETATM 54 C UNK 0 13.439 -0.379 1.806 0.00 0.00 C+0 HETATM 55 C UNK 0 13.846 -1.601 2.139 0.00 0.00 C+0 HETATM 56 C UNK 0 14.502 -2.474 1.163 0.00 0.00 C+0 HETATM 57 C UNK 0 13.614 -2.060 3.545 0.00 0.00 C+0 HETATM 58 H UNK 0 -18.752 0.776 -1.493 0.00 0.00 H+0 HETATM 59 H UNK 0 -17.799 -0.788 -1.644 0.00 0.00 H+0 HETATM 60 H UNK 0 -16.755 1.955 -0.883 0.00 0.00 H+0 HETATM 61 H UNK 0 -15.353 0.774 -3.102 0.00 0.00 H+0 HETATM 62 H UNK 0 -13.934 -0.238 -2.598 0.00 0.00 H+0 HETATM 63 H UNK 0 -14.075 1.466 -2.053 0.00 0.00 H+0 HETATM 64 H UNK 0 -14.894 -1.670 -1.572 0.00 0.00 H+0 HETATM 65 H UNK 0 -15.301 0.448 1.128 0.00 0.00 H+0 HETATM 66 H UNK 0 -14.508 1.675 0.106 0.00 0.00 H+0 HETATM 67 H UNK 0 -13.671 -1.205 0.597 0.00 0.00 H+0 HETATM 68 H UNK 0 -12.766 -0.160 -0.516 0.00 0.00 H+0 HETATM 69 H UNK 0 -13.104 0.264 2.591 0.00 0.00 H+0 HETATM 70 H UNK 0 -11.691 1.499 -0.588 0.00 0.00 H+0 HETATM 71 H UNK 0 -10.583 0.144 -0.355 0.00 0.00 H+0 HETATM 72 H UNK 0 -10.107 1.839 0.079 0.00 0.00 H+0 HETATM 73 H UNK 0 -10.531 2.551 2.405 0.00 0.00 H+0 HETATM 74 H UNK 0 -11.425 1.431 3.508 0.00 0.00 H+0 HETATM 75 H UNK 0 -9.632 -0.288 3.208 0.00 0.00 H+0 HETATM 76 H UNK 0 -9.056 1.238 3.864 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.617 0.316 0.904 0.00 0.00 H+0 HETATM 78 H UNK 0 -7.839 2.834 3.540 0.00 0.00 H+0 HETATM 79 H UNK 0 -7.042 1.301 4.179 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.083 2.590 3.378 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.178 1.445 1.569 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.179 2.509 0.637 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.151 0.989 -0.804 0.00 0.00 H+0 HETATM 84 H UNK 0 -5.379 0.932 -0.834 0.00 0.00 H+0 HETATM 85 H UNK 0 -6.670 -1.219 -1.250 0.00 0.00 H+0 HETATM 86 H UNK 0 -7.261 -1.249 0.434 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.032 -3.904 0.373 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.690 -3.305 0.637 0.00 0.00 H+0 HETATM 89 H UNK 0 -6.007 -3.255 -1.031 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.555 -1.436 -1.631 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.392 -0.497 1.746 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.573 -1.664 2.356 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.402 -2.169 3.058 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.044 -3.502 2.107 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.480 -2.735 0.171 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.733 -3.199 1.698 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.889 -0.274 3.283 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.988 -1.793 3.289 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.134 -0.289 2.721 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.691 0.744 0.851 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.902 -1.076 -0.696 0.00 0.00 H+0 HETATM 102 H UNK 0 0.060 -0.197 0.519 0.00 0.00 H+0 HETATM 103 H UNK 0 -0.288 -3.262 0.462 0.00 0.00 H+0 HETATM 104 H UNK 0 0.702 -2.373 1.611 0.00 0.00 H+0 HETATM 105 H UNK 0 2.057 -3.602 -0.025 0.00 0.00 H+0 HETATM 106 H UNK 0 1.149 -2.983 -1.406 0.00 0.00 H+0 HETATM 107 H UNK 0 2.921 -0.330 1.072 0.00 0.00 H+0 HETATM 108 H UNK 0 2.954 -2.052 1.406 0.00 0.00 H+0 HETATM 109 H UNK 0 4.385 -1.401 0.629 0.00 0.00 H+0 HETATM 110 H UNK 0 3.805 -3.223 -0.697 0.00 0.00 H+0 HETATM 111 H UNK 0 1.959 -1.190 -2.570 0.00 0.00 H+0 HETATM 112 H UNK 0 1.213 -0.137 -1.313 0.00 0.00 H+0 HETATM 113 H UNK 0 2.680 1.056 -2.764 0.00 0.00 H+0 HETATM 114 H UNK 0 3.948 -0.167 -2.557 0.00 0.00 H+0 HETATM 115 H UNK 0 3.085 1.843 -0.336 0.00 0.00 H+0 HETATM 116 H UNK 0 4.485 0.713 -0.280 0.00 0.00 H+0 HETATM 117 H UNK 0 4.548 3.529 0.106 0.00 0.00 H+0 HETATM 118 H UNK 0 5.974 3.890 -0.852 0.00 0.00 H+0 HETATM 119 H UNK 0 5.885 2.322 0.004 0.00 0.00 H+0 HETATM 120 H UNK 0 3.955 4.037 -2.295 0.00 0.00 H+0 HETATM 121 H UNK 0 5.797 0.679 -2.391 0.00 0.00 H+0 HETATM 122 H UNK 0 4.658 1.308 -3.542 0.00 0.00 H+0 HETATM 123 H UNK 0 6.697 1.726 -4.406 0.00 0.00 H+0 HETATM 124 H UNK 0 5.689 3.150 -4.218 0.00 0.00 H+0 HETATM 125 H UNK 0 7.956 3.652 -4.197 0.00 0.00 H+0 HETATM 126 H UNK 0 7.372 4.157 -2.630 0.00 0.00 H+0 HETATM 127 H UNK 0 10.677 3.401 -2.016 0.00 0.00 H+0 HETATM 128 H UNK 0 9.245 4.582 -1.903 0.00 0.00 H+0 HETATM 129 H UNK 0 9.918 4.077 -3.465 0.00 0.00 H+0 HETATM 130 H UNK 0 8.741 1.557 -4.249 0.00 0.00 H+0 HETATM 131 H UNK 0 8.151 2.787 -0.536 0.00 0.00 H+0 HETATM 132 H UNK 0 7.668 1.199 -1.335 0.00 0.00 H+0 HETATM 133 H UNK 0 9.168 0.899 0.383 0.00 0.00 H+0 HETATM 134 H UNK 0 10.310 2.089 -0.228 0.00 0.00 H+0 HETATM 135 H UNK 0 10.531 0.303 -2.331 0.00 0.00 H+0 HETATM 136 H UNK 0 9.442 -0.676 -1.353 0.00 0.00 H+0 HETATM 137 H UNK 0 9.633 -1.056 0.645 0.00 0.00 H+0 HETATM 138 H UNK 0 11.166 -1.829 1.237 0.00 0.00 H+0 HETATM 139 H UNK 0 10.773 -0.035 1.539 0.00 0.00 H+0 HETATM 140 H UNK 0 12.562 -1.226 -1.738 0.00 0.00 H+0 HETATM 141 H UNK 0 12.081 1.459 0.280 0.00 0.00 H+0 HETATM 142 H UNK 0 12.832 0.910 -1.306 0.00 0.00 H+0 HETATM 143 H UNK 0 14.149 -0.667 -0.215 0.00 0.00 H+0 HETATM 144 H UNK 0 14.360 0.977 0.456 0.00 0.00 H+0 HETATM 145 H UNK 0 12.948 0.294 2.503 0.00 0.00 H+0 HETATM 146 H UNK 0 15.485 -2.020 0.904 0.00 0.00 H+0 HETATM 147 H UNK 0 14.627 -3.485 1.618 0.00 0.00 H+0 HETATM 148 H UNK 0 13.931 -2.645 0.228 0.00 0.00 H+0 HETATM 149 H UNK 0 13.212 -3.095 3.520 0.00 0.00 H+0 HETATM 150 H UNK 0 12.874 -1.450 4.068 0.00 0.00 H+0 HETATM 151 H UNK 0 14.582 -1.996 4.070 0.00 0.00 H+0 CONECT 1 2 58 59 CONECT 2 1 3 60 CONECT 3 2 4 5 6 CONECT 4 3 61 62 63 CONECT 5 3 64 CONECT 6 3 7 65 66 CONECT 7 6 8 67 68 CONECT 8 7 9 69 CONECT 9 8 10 11 CONECT 10 9 70 71 72 CONECT 11 9 12 73 74 CONECT 12 11 13 75 76 CONECT 13 12 14 77 CONECT 14 13 15 16 CONECT 15 14 78 79 80 CONECT 16 14 17 81 82 CONECT 17 16 18 83 84 CONECT 18 17 19 85 86 CONECT 19 18 20 21 22 CONECT 20 19 87 88 89 CONECT 21 19 90 CONECT 22 19 23 91 92 CONECT 23 22 24 93 94 CONECT 24 23 25 95 96 CONECT 25 24 26 27 28 CONECT 26 25 97 98 99 CONECT 27 25 100 CONECT 28 25 29 101 102 CONECT 29 28 30 103 104 CONECT 30 29 31 105 106 CONECT 31 30 32 33 34 CONECT 32 31 107 108 109 CONECT 33 31 110 CONECT 34 31 35 111 112 CONECT 35 34 36 113 114 CONECT 36 35 37 115 116 CONECT 37 36 38 39 40 CONECT 38 37 117 118 119 CONECT 39 37 120 CONECT 40 37 41 121 122 CONECT 41 40 42 123 124 CONECT 42 41 43 125 126 CONECT 43 42 44 45 46 CONECT 44 43 127 128 129 CONECT 45 43 130 CONECT 46 43 47 131 132 CONECT 47 46 48 133 134 CONECT 48 47 49 135 136 CONECT 49 48 50 51 52 CONECT 50 49 137 138 139 CONECT 51 49 140 CONECT 52 49 53 141 142 CONECT 53 52 54 143 144 CONECT 54 53 55 145 CONECT 55 54 56 57 CONECT 56 55 146 147 148 CONECT 57 55 149 150 151 CONECT 58 1 CONECT 59 1 CONECT 60 2 CONECT 61 4 CONECT 62 4 CONECT 63 4 CONECT 64 5 CONECT 65 6 CONECT 66 6 CONECT 67 7 CONECT 68 7 CONECT 69 8 CONECT 70 10 CONECT 71 10 CONECT 72 10 CONECT 73 11 CONECT 74 11 CONECT 75 12 CONECT 76 12 CONECT 77 13 CONECT 78 15 CONECT 79 15 CONECT 80 15 CONECT 81 16 CONECT 82 16 CONECT 83 17 CONECT 84 17 CONECT 85 18 CONECT 86 18 CONECT 87 20 CONECT 88 20 CONECT 89 20 CONECT 90 21 CONECT 91 22 CONECT 92 22 CONECT 93 23 CONECT 94 23 CONECT 95 24 CONECT 96 24 CONECT 97 26 CONECT 98 26 CONECT 99 26 CONECT 100 27 CONECT 101 28 CONECT 102 28 CONECT 103 29 CONECT 104 29 CONECT 105 30 CONECT 106 30 CONECT 107 32 CONECT 108 32 CONECT 109 32 CONECT 110 33 CONECT 111 34 CONECT 112 34 CONECT 113 35 CONECT 114 35 CONECT 115 36 CONECT 116 36 CONECT 117 38 CONECT 118 38 CONECT 119 38 CONECT 120 39 CONECT 121 40 CONECT 122 40 CONECT 123 41 CONECT 124 41 CONECT 125 42 CONECT 126 42 CONECT 127 44 CONECT 128 44 CONECT 129 44 CONECT 130 45 CONECT 131 46 CONECT 132 46 CONECT 133 47 CONECT 134 47 CONECT 135 48 CONECT 136 48 CONECT 137 50 CONECT 138 50 CONECT 139 50 CONECT 140 51 CONECT 141 52 CONECT 142 52 CONECT 143 53 CONECT 144 53 CONECT 145 54 CONECT 146 56 CONECT 147 56 CONECT 148 56 CONECT 149 57 CONECT 150 57 CONECT 151 57 MASTER 0 0 0 0 0 0 0 0 151 0 300 0 END SMILES for NP0001833 (Hypsiziprenol-B10)[H]O[C@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/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 NP0001833 (Hypsiziprenol-B10)InChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+/t44-,45-,46+,47+,48-,49+,50+/m0/s1 3D Structure for NP0001833 (Hypsiziprenol-B10) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C50H94O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 807.2950 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 806.69996 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R,6E,10E,15R,19S,23R,27S,31S,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R,6E,10E,15R,19S,23R,27S,31S,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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)CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | PGKWOUQKDDYJEI-AUNPKQNBSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polyterpenoids. These are terpenoids consisting of more than eight isoprene units. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Polyterpenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polyterpenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA004537 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 4981225 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 6480645 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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