Showing NP-Card for Azalomycin F5 (NP0021631)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:54:48 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:36:51 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0021631 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Azalomycin F5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Azalomycin F5 is found in Streptomyces and Streptomyces hygroscopicus var. azalomyceticus K5-4. Based on a literature review very few articles have been published on 3-{[(1S,3S,5R,7S,9R,10Z,12Z,14S,15S,18Z,20Z,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(2S,6E)-10-(N',N''-dimethylcarbamimidamido)dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]Heptatriaconta-10,12,18,20-tetraen-5-yl]oxy}-3-oxopropanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0021631 (Azalomycin F5)
Mrv1652307042108003D
174175 0 0 0 0 999 V2000
14.0579 -2.1169 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6243 -1.0538 -2.5185 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2292 0.0754 -2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8112 1.0918 -2.8906 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 2.4766 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2106 0.2985 -0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0161 0.1979 0.2195 C 0 0 2 0 0 0 0 0 0 0 0 0
11.5324 -1.2201 0.3012 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2996 -1.4073 1.1423 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1605 -0.5834 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5639 0.3407 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 1.1958 0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2228 1.0761 1.6686 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5237 -0.2015 1.7618 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8711 -0.8317 0.5924 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7347 -1.1343 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.4070 0.2911 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8910 -1.0292 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 -2.3183 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 -2.6658 -2.4463 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7991 -3.4042 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -4.6171 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 -3.3598 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7567 -2.6635 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 -2.9239 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -4.2325 -0.5032 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3929 -5.0481 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9927 -5.1429 0.6569 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1355 -5.8683 1.0285 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 -6.1207 0.1835 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2964 -5.4865 -0.3080 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6860 -4.3807 0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4273 -6.4999 -0.2096 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5189 -6.9688 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6883 -5.7987 -0.6695 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5572 -6.7125 -1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3895 -5.0785 0.4664 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7899 -3.6765 0.1052 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2779 -3.4559 0.2137 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0092 -4.5431 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5856 -2.0899 -0.4051 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5649 -1.7662 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7731 -1.1094 0.7074 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6825 0.3284 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3850 1.0850 1.1875 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3759 0.7930 0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3957 2.2055 0.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9940 2.6714 0.0441 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7039 4.0584 0.5750 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8387 4.8444 0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5031 4.5999 -0.2111 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9335 5.7663 0.5223 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0717 6.5618 -0.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3371 7.8635 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4272 8.3405 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4321 8.7022 -1.4268 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0032 10.0366 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 10.9171 -2.3156 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2356 10.3469 -1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 5.4506 1.8104 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3353 4.2829 1.8010 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9552 3.0667 1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1596 4.4923 0.8751 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0488 3.7239 1.3028 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2542 2.3974 1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 4.0657 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 4.5575 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 3.9702 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 2.9556 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8007 1.6710 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 1.0748 0.1442 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2397 1.2814 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2777 2.7848 -0.7878 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.5694 1.6770 -1.7877 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3798 1.1698 -2.2633 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3220 0.5571 -1.0890 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6370 1.0361 -0.9097 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2518 -2.8878 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9318 -2.6311 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3765 -1.7021 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2860 0.8393 -3.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0903 2.7258 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2594 2.5667 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3393 3.1513 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1421 0.5523 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2425 0.8522 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2503 0.6006 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3924 -1.8225 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3563 -1.5976 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4826 -1.1306 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9932 -2.4659 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8360 -0.7583 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 0.5044 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2856 1.1461 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 2.2605 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6118 1.2804 2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6170 1.9924 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2659 -0.9286 2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7126 -0.1827 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6856 -1.9326 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2180 -1.9680 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8313 -0.3329 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -1.5972 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 -0.7143 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -5.5134 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8536 -4.7845 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6439 -4.3742 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4088 -3.8871 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5467 -1.9306 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 -2.0389 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 -4.1178 -1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 -4.5287 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 -5.7845 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0346 -5.7501 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3483 -4.5620 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0531 -6.8288 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6634 -6.7951 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2919 -6.7564 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 -5.2147 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3788 -4.4360 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2027 -7.3157 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0678 -6.2812 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9414 -7.9374 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5904 -7.2007 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4578 -5.0251 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0273 -7.1620 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2571 -5.7120 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7300 -5.0549 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2610 -2.9045 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5320 -3.5232 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6400 -3.4762 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4679 -4.7422 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1556 -5.4391 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0194 -4.1489 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5655 -2.2237 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8911 -1.1946 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9956 -1.2753 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7503 -1.3064 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0623 0.5621 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7615 2.5299 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8181 2.6576 -1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2333 1.9907 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5185 4.0675 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6288 5.6629 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9776 5.0201 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 3.7808 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8213 6.4250 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4443 8.8323 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2048 8.1569 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8950 10.9913 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6412 6.3541 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9743 5.3552 2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8880 4.2409 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6777 2.3594 2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 4.2551 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 5.6079 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 4.0688 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2672 2.0385 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2218 3.8334 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7849 4.6722 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 5.5761 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1396 4.7424 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3873 3.2200 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3953 1.0029 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1872 1.4937 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4193 2.2236 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 1.2917 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 0.4771 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2047 3.2177 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7398 3.5755 -1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1619 2.1226 -2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4497 0.8874 -3.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3188 -0.3007 -1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2080 0.2418 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
35 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 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
52 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
47 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
71 17 1 0 0 0 0
76 44 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
4 81 1 0 0 0 0
5 82 1 0 0 0 0
5 83 1 0 0 0 0
5 84 1 0 0 0 0
6 85 1 0 0 0 0
7 86 1 0 0 0 0
7 87 1 0 0 0 0
8 88 1 0 0 0 0
8 89 1 0 0 0 0
9 90 1 0 0 0 0
9 91 1 0 0 0 0
10 92 1 0 0 0 0
11 93 1 0 0 0 0
12 94 1 0 0 0 0
12 95 1 0 0 0 0
13 96 1 0 0 0 0
13 97 1 0 0 0 0
14 98 1 0 0 0 0
14 99 1 0 0 0 0
15100 1 1 0 0 0
16101 1 0 0 0 0
16102 1 0 0 0 0
16103 1 0 0 0 0
17104 1 1 0 0 0
22105 1 0 0 0 0
22106 1 0 0 0 0
22107 1 0 0 0 0
23108 1 0 0 0 0
24109 1 0 0 0 0
25110 1 0 0 0 0
26111 1 6 0 0 0
27112 1 0 0 0 0
27113 1 0 0 0 0
27114 1 0 0 0 0
28115 1 1 0 0 0
29116 1 0 0 0 0
30117 1 0 0 0 0
30118 1 0 0 0 0
31119 1 6 0 0 0
32120 1 0 0 0 0
33121 1 6 0 0 0
34122 1 0 0 0 0
34123 1 0 0 0 0
34124 1 0 0 0 0
35125 1 6 0 0 0
36126 1 0 0 0 0
37127 1 0 0 0 0
37128 1 0 0 0 0
38129 1 0 0 0 0
38130 1 0 0 0 0
39131 1 1 0 0 0
40132 1 0 0 0 0
40133 1 0 0 0 0
40134 1 0 0 0 0
41135 1 6 0 0 0
42136 1 0 0 0 0
43137 1 0 0 0 0
43138 1 0 0 0 0
45139 1 0 0 0 0
47140 1 1 0 0 0
48141 1 0 0 0 0
48142 1 0 0 0 0
49143 1 1 0 0 0
50144 1 0 0 0 0
51145 1 0 0 0 0
51146 1 0 0 0 0
52147 1 1 0 0 0
56148 1 0 0 0 0
56149 1 0 0 0 0
59150 1 0 0 0 0
60151 1 0 0 0 0
60152 1 0 0 0 0
61153 1 1 0 0 0
62154 1 0 0 0 0
63155 1 0 0 0 0
63156 1 0 0 0 0
64157 1 1 0 0 0
65158 1 0 0 0 0
67159 1 0 0 0 0
67160 1 0 0 0 0
67161 1 0 0 0 0
68162 1 0 0 0 0
69163 1 0 0 0 0
70164 1 0 0 0 0
71165 1 6 0 0 0
72166 1 0 0 0 0
72167 1 0 0 0 0
72168 1 0 0 0 0
73169 1 0 0 0 0
73170 1 0 0 0 0
74171 1 6 0 0 0
75172 1 0 0 0 0
76173 1 6 0 0 0
77174 1 0 0 0 0
M END
3D MOL for NP0021631 (Azalomycin F5)
RDKit 3D
174175 0 0 0 0 0 0 0 0999 V2000
14.0579 -2.1169 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6243 -1.0538 -2.5185 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2292 0.0754 -2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8112 1.0918 -2.8906 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 2.4766 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2106 0.2985 -0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0161 0.1979 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5324 -1.2201 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2996 -1.4073 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1605 -0.5834 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5639 0.3407 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 1.1958 0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2228 1.0761 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5237 -0.2015 1.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8711 -0.8317 0.5924 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7347 -1.1343 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.4070 0.2911 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8910 -1.0292 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 -2.3183 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 -2.6658 -2.4463 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7991 -3.4042 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -4.6171 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 -3.3598 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7567 -2.6635 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 -2.9239 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -4.2325 -0.5032 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3929 -5.0481 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9927 -5.1429 0.6569 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1355 -5.8683 1.0285 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 -6.1207 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4272 8.3405 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4321 8.7022 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0032 10.0366 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0488 3.7239 1.3028 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2542 2.3974 1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 4.0657 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 4.5575 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 3.9702 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 2.9556 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8007 1.6710 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 1.0748 0.1442 C 0 0 2 0 0 0 0 0 0 0 0 0
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14.0903 2.7258 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.6118 1.2804 2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6170 1.9924 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.4088 -3.8871 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5467 -1.9306 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.2573 4.0688 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7849 4.6722 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 5.5761 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1396 4.7424 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3873 3.2200 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3953 1.0029 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1872 1.4937 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4193 2.2236 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 1.2917 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 0.4771 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.2080 0.2418 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
3 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
21 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 1 0
26 28 1 0
28 29 1 0
28 30 1 0
30 31 1 0
31 32 1 0
31 33 1 0
33 34 1 0
33 35 1 0
35 36 1 0
35 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
39 41 1 0
41 42 1 0
41 43 1 0
43 44 1 0
44 45 1 1
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 2 0
54 56 1 0
56 57 1 0
57 58 2 0
57 59 1 0
52 60 1 0
60 61 1 0
61 62 1 0
61 63 1 0
63 64 1 0
64 65 1 0
64 66 1 0
66 67 1 0
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68 69 1 0
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70 71 1 0
71 72 1 0
47 73 1 0
73 74 1 0
74 75 1 0
74 76 1 0
76 77 1 0
71 17 1 0
76 44 1 0
1 78 1 0
1 79 1 0
1 80 1 0
4 81 1 0
5 82 1 0
5 83 1 0
5 84 1 0
6 85 1 0
7 86 1 0
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8 88 1 0
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9 90 1 0
9 91 1 0
10 92 1 0
11 93 1 0
12 94 1 0
12 95 1 0
13 96 1 0
13 97 1 0
14 98 1 0
14 99 1 0
15100 1 1
16101 1 0
16102 1 0
16103 1 0
17104 1 1
22105 1 0
22106 1 0
22107 1 0
23108 1 0
24109 1 0
25110 1 0
26111 1 6
27112 1 0
27113 1 0
27114 1 0
28115 1 1
29116 1 0
30117 1 0
30118 1 0
31119 1 6
32120 1 0
33121 1 6
34122 1 0
34123 1 0
34124 1 0
35125 1 6
36126 1 0
37127 1 0
37128 1 0
38129 1 0
38130 1 0
39131 1 1
40132 1 0
40133 1 0
40134 1 0
41135 1 6
42136 1 0
43137 1 0
43138 1 0
45139 1 0
47140 1 1
48141 1 0
48142 1 0
49143 1 1
50144 1 0
51145 1 0
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52147 1 1
56148 1 0
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59150 1 0
60151 1 0
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61153 1 1
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64157 1 1
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67159 1 0
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68162 1 0
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70164 1 0
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72166 1 0
72167 1 0
72168 1 0
73169 1 0
73170 1 0
74171 1 6
75172 1 0
76173 1 6
77174 1 0
M END
3D SDF for NP0021631 (Azalomycin F5)
Mrv1652307042108003D
174175 0 0 0 0 999 V2000
14.0579 -2.1169 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6243 -1.0538 -2.5185 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2292 0.0754 -2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8112 1.0918 -2.8906 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 2.4766 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2106 0.2985 -0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0161 0.1979 0.2195 C 0 0 2 0 0 0 0 0 0 0 0 0
11.5324 -1.2201 0.3012 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2996 -1.4073 1.1423 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1605 -0.5834 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5639 0.3407 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 1.1958 0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2228 1.0761 1.6686 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5237 -0.2015 1.7618 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8711 -0.8317 0.5924 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7347 -1.1343 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.4070 0.2911 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8910 -1.0292 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 -2.3183 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 -2.6658 -2.4463 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7991 -3.4042 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -4.6171 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 -3.3598 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7567 -2.6635 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 -2.9239 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -4.2325 -0.5032 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3929 -5.0481 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9927 -5.1429 0.6569 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1355 -5.8683 1.0285 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 -6.1207 0.1835 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2964 -5.4865 -0.3080 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6860 -4.3807 0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4273 -6.4999 -0.2096 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5189 -6.9688 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6883 -5.7987 -0.6695 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5572 -6.7125 -1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3895 -5.0785 0.4664 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7899 -3.6765 0.1052 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2779 -3.4559 0.2137 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0092 -4.5431 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5856 -2.0899 -0.4051 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5649 -1.7662 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7731 -1.1094 0.7074 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6825 0.3284 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3850 1.0850 1.1875 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3759 0.7930 0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3957 2.2055 0.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9940 2.6714 0.0441 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7039 4.0584 0.5750 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8387 4.8444 0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5031 4.5999 -0.2111 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9335 5.7663 0.5223 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0717 6.5618 -0.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3371 7.8635 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4272 8.3405 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4321 8.7022 -1.4268 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0032 10.0366 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 10.9171 -2.3156 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2356 10.3469 -1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 5.4506 1.8104 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3353 4.2829 1.8010 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9552 3.0667 1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1596 4.4923 0.8751 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0488 3.7239 1.3028 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2542 2.3974 1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 4.0657 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 4.5575 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 3.9702 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 2.9556 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8007 1.6710 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 1.0748 0.1442 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2397 1.2814 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2777 2.7848 -0.7878 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.5694 1.6770 -1.7877 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3798 1.1698 -2.2633 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3220 0.5571 -1.0890 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6370 1.0361 -0.9097 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2518 -2.8878 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9318 -2.6311 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3765 -1.7021 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2860 0.8393 -3.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0903 2.7258 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2594 2.5667 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3393 3.1513 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1421 0.5523 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2425 0.8522 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2503 0.6006 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3924 -1.8225 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3563 -1.5976 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4826 -1.1306 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9932 -2.4659 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8360 -0.7583 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 0.5044 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2856 1.1461 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 2.2605 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6118 1.2804 2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6170 1.9924 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2659 -0.9286 2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7126 -0.1827 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6856 -1.9326 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2180 -1.9680 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8313 -0.3329 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -1.5972 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 -0.7143 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -5.5134 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8536 -4.7845 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6439 -4.3742 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4088 -3.8871 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5467 -1.9306 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 -2.0389 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 -4.1178 -1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 -4.5287 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 -5.7845 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0346 -5.7501 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3483 -4.5620 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0531 -6.8288 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6634 -6.7951 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2919 -6.7564 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 -5.2147 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3788 -4.4360 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2027 -7.3157 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0678 -6.2812 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9414 -7.9374 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5904 -7.2007 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4578 -5.0251 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0273 -7.1620 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2571 -5.7120 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7300 -5.0549 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2610 -2.9045 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5320 -3.5232 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6400 -3.4762 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4679 -4.7422 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1556 -5.4391 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0194 -4.1489 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5655 -2.2237 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8911 -1.1946 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9956 -1.2753 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7503 -1.3064 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0623 0.5621 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7615 2.5299 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8181 2.6576 -1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2333 1.9907 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5185 4.0675 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6288 5.6629 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9776 5.0201 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 3.7808 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2048 8.1569 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8950 10.9913 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6412 6.3541 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9743 5.3552 2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8880 4.2409 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6777 2.3594 2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 4.2551 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 5.6079 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 4.0688 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2672 2.0385 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2218 3.8334 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7849 4.6722 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 5.5761 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1396 4.7424 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3873 3.2200 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3953 1.0029 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1872 1.4937 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4193 2.2236 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 1.2917 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 0.4771 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2047 3.2177 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7398 3.5755 -1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1619 2.1226 -2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4497 0.8874 -3.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3188 -0.3007 -1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2080 0.2418 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
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7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
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15 16 1 0 0 0 0
15 17 1 0 0 0 0
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18 19 1 0 0 0 0
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26 28 1 0 0 0 0
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31 32 1 0 0 0 0
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41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
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48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
52 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
47 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
71 17 1 0 0 0 0
76 44 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
4 81 1 0 0 0 0
5 82 1 0 0 0 0
5 83 1 0 0 0 0
5 84 1 0 0 0 0
6 85 1 0 0 0 0
7 86 1 0 0 0 0
7 87 1 0 0 0 0
8 88 1 0 0 0 0
8 89 1 0 0 0 0
9 90 1 0 0 0 0
9 91 1 0 0 0 0
10 92 1 0 0 0 0
11 93 1 0 0 0 0
12 94 1 0 0 0 0
12 95 1 0 0 0 0
13 96 1 0 0 0 0
13 97 1 0 0 0 0
14 98 1 0 0 0 0
14 99 1 0 0 0 0
15100 1 1 0 0 0
16101 1 0 0 0 0
16102 1 0 0 0 0
16103 1 0 0 0 0
17104 1 1 0 0 0
22105 1 0 0 0 0
22106 1 0 0 0 0
22107 1 0 0 0 0
23108 1 0 0 0 0
24109 1 0 0 0 0
25110 1 0 0 0 0
26111 1 6 0 0 0
27112 1 0 0 0 0
27113 1 0 0 0 0
27114 1 0 0 0 0
28115 1 1 0 0 0
29116 1 0 0 0 0
30117 1 0 0 0 0
30118 1 0 0 0 0
31119 1 6 0 0 0
32120 1 0 0 0 0
33121 1 6 0 0 0
34122 1 0 0 0 0
34123 1 0 0 0 0
34124 1 0 0 0 0
35125 1 6 0 0 0
36126 1 0 0 0 0
37127 1 0 0 0 0
37128 1 0 0 0 0
38129 1 0 0 0 0
38130 1 0 0 0 0
39131 1 1 0 0 0
40132 1 0 0 0 0
40133 1 0 0 0 0
40134 1 0 0 0 0
41135 1 6 0 0 0
42136 1 0 0 0 0
43137 1 0 0 0 0
43138 1 0 0 0 0
45139 1 0 0 0 0
47140 1 1 0 0 0
48141 1 0 0 0 0
48142 1 0 0 0 0
49143 1 1 0 0 0
50144 1 0 0 0 0
51145 1 0 0 0 0
51146 1 0 0 0 0
52147 1 1 0 0 0
56148 1 0 0 0 0
56149 1 0 0 0 0
59150 1 0 0 0 0
60151 1 0 0 0 0
60152 1 0 0 0 0
61153 1 1 0 0 0
62154 1 0 0 0 0
63155 1 0 0 0 0
63156 1 0 0 0 0
64157 1 1 0 0 0
65158 1 0 0 0 0
67159 1 0 0 0 0
67160 1 0 0 0 0
67161 1 0 0 0 0
68162 1 0 0 0 0
69163 1 0 0 0 0
70164 1 0 0 0 0
71165 1 6 0 0 0
72166 1 0 0 0 0
72167 1 0 0 0 0
72168 1 0 0 0 0
73169 1 0 0 0 0
73170 1 0 0 0 0
74171 1 6 0 0 0
75172 1 0 0 0 0
76173 1 6 0 0 0
77174 1 0 0 0 0
M END
> <DATABASE_ID>
NP0021631
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])C(=O)O[C@@]1([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]2([H])O[C@](O[H])(C([H])([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(\C([H])=C(\[H])/C(/[H])=C(\C(=O)O[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N/C([H])([H])[H])\N([H])C([H])([H])[H])[C@]([H])(\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])C2([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17-,21-16-,34-19-,39-22-/t35-,36+,37+,38+,40+,41-,42-,43+,44+,45+,46-,47-,48+,49-,50-,53+,54+,57-/m1/s1
> <INCHI_KEY>
ULHJRSBSTUGEPH-VGGXQRNASA-N
> <FORMULA>
C57H97N3O17
> <MOLECULAR_WEIGHT>
1096.407
> <EXACT_MASS>
1095.681798675
> <JCHEM_ACCEPTOR_COUNT>
18
> <JCHEM_ATOM_COUNT>
174
> <JCHEM_AVERAGE_POLARIZABILITY>
122.30232257521396
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
13
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
3-{[(1S,3S,5R,7S,9R,10Z,12Z,14S,15S,18Z,20Z,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(6E)-10-[(Z)-N',N''-dimethylcarbamimidamido]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy}-3-oxopropanoic acid
> <ALOGPS_LOGP>
1.97
> <JCHEM_LOGP>
1.3950196448878098
> <ALOGPS_LOGS>
-4.69
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
10.926639515053736
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4043780709347335
> <JCHEM_PKA_STRONGEST_BASIC>
12.2145825017651
> <JCHEM_POLAR_SURFACE_AREA>
337.85
> <JCHEM_REFRACTIVITY>
296.10209999999995
> <JCHEM_ROTATABLE_BOND_COUNT>
13
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.24e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
3-{[(1S,3S,5R,7S,9R,10Z,12Z,14S,15S,18Z,20Z,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(6E)-10-[(Z)-N',N''-dimethylcarbamimidamido]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy}-3-oxopropanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0021631 (Azalomycin F5)
RDKit 3D
174175 0 0 0 0 0 0 0 0999 V2000
14.0579 -2.1169 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6243 -1.0538 -2.5185 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2292 0.0754 -2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8112 1.0918 -2.8906 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1339 2.4766 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2106 0.2985 -0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0161 0.1979 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5324 -1.2201 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2996 -1.4073 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1605 -0.5834 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5639 0.3407 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 1.1958 0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2228 1.0761 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5237 -0.2015 1.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8711 -0.8317 0.5924 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7347 -1.1343 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.4070 0.2911 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8910 -1.0292 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 -2.3183 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 -2.6658 -2.4463 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7991 -3.4042 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -4.6171 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 -3.3598 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7567 -2.6635 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 -2.9239 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -4.2325 -0.5032 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3929 -5.0481 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9927 -5.1429 0.6569 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1355 -5.8683 1.0285 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 -6.1207 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2964 -5.4865 -0.3080 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6860 -4.3807 0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4273 -6.4999 -0.2096 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5189 -6.9688 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6883 -5.7987 -0.6695 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5572 -6.7125 -1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3895 -5.0785 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7899 -3.6765 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2779 -3.4559 0.2137 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0092 -4.5431 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5856 -2.0899 -0.4051 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5649 -1.7662 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7731 -1.1094 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6825 0.3284 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3850 1.0850 1.1875 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3759 0.7930 0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3957 2.2055 0.2975 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9940 2.6714 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7039 4.0584 0.5750 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8387 4.8444 0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5031 4.5999 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9335 5.7663 0.5223 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0717 6.5618 -0.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3371 7.8635 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4272 8.3405 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4321 8.7022 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0032 10.0366 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 10.9171 -2.3156 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2356 10.3469 -1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 5.4506 1.8104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 4.2829 1.8010 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9552 3.0667 1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1596 4.4923 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0488 3.7239 1.3028 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2542 2.3974 1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 4.0657 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 4.5575 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 3.9702 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 2.9556 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8007 1.6710 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 1.0748 0.1442 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2397 1.2814 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2777 2.7848 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5694 1.6770 -1.7877 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3798 1.1698 -2.2633 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3220 0.5571 -1.0890 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6370 1.0361 -0.9097 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2518 -2.8878 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9318 -2.6311 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3765 -1.7021 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2860 0.8393 -3.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0903 2.7258 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2594 2.5667 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3393 3.1513 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1421 0.5523 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2425 0.8522 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2503 0.6006 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3924 -1.8225 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3563 -1.5976 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4826 -1.1306 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9932 -2.4659 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8360 -0.7583 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 0.5044 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2856 1.1461 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0021631 (Azalomycin F5)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 14.058 -2.117 -1.662 0.00 0.00 C+0 HETATM 2 N UNK 0 13.624 -1.054 -2.519 0.00 0.00 N+0 HETATM 3 C UNK 0 13.229 0.075 -2.004 0.00 0.00 C+0 HETATM 4 N UNK 0 12.811 1.092 -2.891 0.00 0.00 N+0 HETATM 5 C UNK 0 13.134 2.477 -2.548 0.00 0.00 C+0 HETATM 6 N UNK 0 13.211 0.299 -0.604 0.00 0.00 N+0 HETATM 7 C UNK 0 12.016 0.198 0.220 0.00 0.00 C+0 HETATM 8 C UNK 0 11.532 -1.220 0.301 0.00 0.00 C+0 HETATM 9 C UNK 0 10.300 -1.407 1.142 0.00 0.00 C+0 HETATM 10 C UNK 0 9.161 -0.583 0.582 0.00 0.00 C+0 HETATM 11 C UNK 0 8.564 0.341 1.281 0.00 0.00 C+0 HETATM 12 C UNK 0 7.445 1.196 0.827 0.00 0.00 C+0 HETATM 13 C UNK 0 6.223 1.076 1.669 0.00 0.00 C+0 HETATM 14 C UNK 0 5.524 -0.202 1.762 0.00 0.00 C+0 HETATM 15 C UNK 0 4.871 -0.832 0.592 0.00 0.00 C+0 HETATM 16 C UNK 0 5.735 -1.134 -0.592 0.00 0.00 C+0 HETATM 17 C UNK 0 3.474 -0.407 0.291 0.00 0.00 C+0 HETATM 18 O UNK 0 2.891 -1.029 -0.799 0.00 0.00 O+0 HETATM 19 C UNK 0 2.860 -2.318 -1.207 0.00 0.00 C+0 HETATM 20 O UNK 0 2.882 -2.666 -2.446 0.00 0.00 O+0 HETATM 21 C UNK 0 2.799 -3.404 -0.225 0.00 0.00 C+0 HETATM 22 C UNK 0 3.653 -4.617 -0.411 0.00 0.00 C+0 HETATM 23 C UNK 0 2.017 -3.360 0.834 0.00 0.00 C+0 HETATM 24 C UNK 0 0.757 -2.664 0.891 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.144 -2.924 -0.033 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.524 -4.232 -0.503 0.00 0.00 C+0 HETATM 27 C UNK 0 0.393 -5.048 -1.317 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.993 -5.143 0.657 0.00 0.00 C+0 HETATM 29 O UNK 0 0.136 -5.868 1.028 0.00 0.00 O+0 HETATM 30 C UNK 0 -2.024 -6.121 0.184 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.296 -5.487 -0.308 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.686 -4.381 0.451 0.00 0.00 O+0 HETATM 33 C UNK 0 -4.427 -6.500 -0.210 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.519 -6.969 1.211 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.688 -5.799 -0.670 0.00 0.00 C+0 HETATM 36 O UNK 0 -6.557 -6.713 -1.273 0.00 0.00 O+0 HETATM 37 C UNK 0 -6.389 -5.079 0.466 0.00 0.00 C+0 HETATM 38 C UNK 0 -6.790 -3.676 0.105 0.00 0.00 C+0 HETATM 39 C UNK 0 -8.278 -3.456 0.214 0.00 0.00 C+0 HETATM 40 C UNK 0 -9.009 -4.543 -0.543 0.00 0.00 C+0 HETATM 41 C UNK 0 -8.586 -2.090 -0.405 0.00 0.00 C+0 HETATM 42 O UNK 0 -7.565 -1.766 -1.283 0.00 0.00 O+0 HETATM 43 C UNK 0 -8.773 -1.109 0.707 0.00 0.00 C+0 HETATM 44 C UNK 0 -8.682 0.328 0.248 0.00 0.00 C+0 HETATM 45 O UNK 0 -9.385 1.085 1.188 0.00 0.00 O+0 HETATM 46 O UNK 0 -7.376 0.793 0.241 0.00 0.00 O+0 HETATM 47 C UNK 0 -7.396 2.205 0.298 0.00 0.00 C+0 HETATM 48 C UNK 0 -5.994 2.671 0.044 0.00 0.00 C+0 HETATM 49 C UNK 0 -5.704 4.058 0.575 0.00 0.00 C+0 HETATM 50 O UNK 0 -6.839 4.844 0.359 0.00 0.00 O+0 HETATM 51 C UNK 0 -4.503 4.600 -0.211 0.00 0.00 C+0 HETATM 52 C UNK 0 -3.934 5.766 0.522 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.072 6.562 -0.254 0.00 0.00 O+0 HETATM 54 C UNK 0 -3.337 7.864 -0.612 0.00 0.00 C+0 HETATM 55 O UNK 0 -4.427 8.341 -0.203 0.00 0.00 O+0 HETATM 56 C UNK 0 -2.432 8.702 -1.427 0.00 0.00 C+0 HETATM 57 C UNK 0 -3.003 10.037 -1.641 0.00 0.00 C+0 HETATM 58 O UNK 0 -2.426 10.917 -2.316 0.00 0.00 O+0 HETATM 59 O UNK 0 -4.236 10.347 -1.076 0.00 0.00 O+0 HETATM 60 C UNK 0 -3.266 5.451 1.810 0.00 0.00 C+0 HETATM 61 C UNK 0 -2.335 4.283 1.801 0.00 0.00 C+0 HETATM 62 O UNK 0 -2.955 3.067 1.617 0.00 0.00 O+0 HETATM 63 C UNK 0 -1.160 4.492 0.875 0.00 0.00 C+0 HETATM 64 C UNK 0 0.049 3.724 1.303 0.00 0.00 C+0 HETATM 65 O UNK 0 -0.254 2.397 1.397 0.00 0.00 O+0 HETATM 66 C UNK 0 1.184 4.066 0.410 0.00 0.00 C+0 HETATM 67 C UNK 0 0.887 4.558 -0.966 0.00 0.00 C+0 HETATM 68 C UNK 0 2.446 3.970 0.787 0.00 0.00 C+0 HETATM 69 C UNK 0 2.902 2.956 1.700 0.00 0.00 C+0 HETATM 70 C UNK 0 2.801 1.671 1.438 0.00 0.00 C+0 HETATM 71 C UNK 0 3.244 1.075 0.144 0.00 0.00 C+0 HETATM 72 C UNK 0 2.240 1.281 -0.973 0.00 0.00 C+0 HETATM 73 C UNK 0 -8.278 2.785 -0.788 0.00 0.00 C+0 HETATM 74 C UNK 0 -8.569 1.677 -1.788 0.00 0.00 C+0 HETATM 75 O UNK 0 -7.380 1.170 -2.263 0.00 0.00 O+0 HETATM 76 C UNK 0 -9.322 0.557 -1.089 0.00 0.00 C+0 HETATM 77 O UNK 0 -10.637 1.036 -0.910 0.00 0.00 O+0 HETATM 78 H UNK 0 13.252 -2.888 -1.494 0.00 0.00 H+0 HETATM 79 H UNK 0 14.932 -2.631 -2.117 0.00 0.00 H+0 HETATM 80 H UNK 0 14.377 -1.702 -0.688 0.00 0.00 H+0 HETATM 81 H UNK 0 12.286 0.839 -3.764 0.00 0.00 H+0 HETATM 82 H UNK 0 14.090 2.726 -3.023 0.00 0.00 H+0 HETATM 83 H UNK 0 13.259 2.567 -1.452 0.00 0.00 H+0 HETATM 84 H UNK 0 12.339 3.151 -2.933 0.00 0.00 H+0 HETATM 85 H UNK 0 14.142 0.552 -0.163 0.00 0.00 H+0 HETATM 86 H UNK 0 11.242 0.852 -0.278 0.00 0.00 H+0 HETATM 87 H UNK 0 12.250 0.601 1.205 0.00 0.00 H+0 HETATM 88 H UNK 0 12.392 -1.823 0.688 0.00 0.00 H+0 HETATM 89 H UNK 0 11.356 -1.598 -0.727 0.00 0.00 H+0 HETATM 90 H UNK 0 10.483 -1.131 2.191 0.00 0.00 H+0 HETATM 91 H UNK 0 9.993 -2.466 1.040 0.00 0.00 H+0 HETATM 92 H UNK 0 8.836 -0.758 -0.433 0.00 0.00 H+0 HETATM 93 H UNK 0 8.924 0.504 2.307 0.00 0.00 H+0 HETATM 94 H UNK 0 7.286 1.146 -0.264 0.00 0.00 H+0 HETATM 95 H UNK 0 7.837 2.260 0.974 0.00 0.00 H+0 HETATM 96 H UNK 0 6.612 1.280 2.745 0.00 0.00 H+0 HETATM 97 H UNK 0 5.617 1.992 1.496 0.00 0.00 H+0 HETATM 98 H UNK 0 6.266 -0.929 2.260 0.00 0.00 H+0 HETATM 99 H UNK 0 4.713 -0.183 2.576 0.00 0.00 H+0 HETATM 100 H UNK 0 4.686 -1.933 0.997 0.00 0.00 H+0 HETATM 101 H UNK 0 5.218 -1.968 -1.174 0.00 0.00 H+0 HETATM 102 H UNK 0 5.831 -0.333 -1.330 0.00 0.00 H+0 HETATM 103 H UNK 0 6.655 -1.597 -0.238 0.00 0.00 H+0 HETATM 104 H UNK 0 2.850 -0.714 1.192 0.00 0.00 H+0 HETATM 105 H UNK 0 3.269 -5.513 0.073 0.00 0.00 H+0 HETATM 106 H UNK 0 3.854 -4.785 -1.509 0.00 0.00 H+0 HETATM 107 H UNK 0 4.644 -4.374 0.050 0.00 0.00 H+0 HETATM 108 H UNK 0 2.409 -3.887 1.715 0.00 0.00 H+0 HETATM 109 H UNK 0 0.547 -1.931 1.704 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.649 -2.039 -0.462 0.00 0.00 H+0 HETATM 111 H UNK 0 -1.466 -4.118 -1.098 0.00 0.00 H+0 HETATM 112 H UNK 0 0.924 -4.529 -2.139 0.00 0.00 H+0 HETATM 113 H UNK 0 -0.266 -5.785 -1.886 0.00 0.00 H+0 HETATM 114 H UNK 0 1.035 -5.750 -0.738 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.348 -4.562 1.505 0.00 0.00 H+0 HETATM 116 H UNK 0 0.053 -6.829 0.805 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.663 -6.795 -0.601 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.292 -6.756 1.052 0.00 0.00 H+0 HETATM 119 H UNK 0 -3.234 -5.215 -1.401 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.379 -4.436 1.375 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.203 -7.316 -0.927 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.068 -6.281 1.931 0.00 0.00 H+0 HETATM 123 H UNK 0 -3.941 -7.937 1.285 0.00 0.00 H+0 HETATM 124 H UNK 0 -5.590 -7.201 1.459 0.00 0.00 H+0 HETATM 125 H UNK 0 -5.458 -5.025 -1.432 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.027 -7.162 -1.989 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.257 -5.712 0.758 0.00 0.00 H+0 HETATM 128 H UNK 0 -5.730 -5.055 1.382 0.00 0.00 H+0 HETATM 129 H UNK 0 -6.261 -2.905 0.679 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.532 -3.523 -0.976 0.00 0.00 H+0 HETATM 131 H UNK 0 -8.640 -3.476 1.262 0.00 0.00 H+0 HETATM 132 H UNK 0 -8.468 -4.742 -1.483 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.156 -5.439 0.069 0.00 0.00 H+0 HETATM 134 H UNK 0 -10.019 -4.149 -0.812 0.00 0.00 H+0 HETATM 135 H UNK 0 -9.566 -2.224 -0.939 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.891 -1.195 -0.883 0.00 0.00 H+0 HETATM 137 H UNK 0 -7.996 -1.275 1.474 0.00 0.00 H+0 HETATM 138 H UNK 0 -9.750 -1.306 1.188 0.00 0.00 H+0 HETATM 139 H UNK 0 -10.062 0.562 1.654 0.00 0.00 H+0 HETATM 140 H UNK 0 -7.761 2.530 1.273 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.818 2.658 -1.059 0.00 0.00 H+0 HETATM 142 H UNK 0 -5.233 1.991 0.518 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.519 4.067 1.657 0.00 0.00 H+0 HETATM 144 H UNK 0 -6.629 5.663 -0.157 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.978 5.020 -1.149 0.00 0.00 H+0 HETATM 146 H UNK 0 -3.819 3.781 -0.426 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.821 6.425 0.765 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.444 8.832 -0.901 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.205 8.157 -2.365 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.895 10.991 -1.481 0.00 0.00 H+0 HETATM 151 H UNK 0 -2.641 6.354 2.083 0.00 0.00 H+0 HETATM 152 H UNK 0 -3.974 5.355 2.669 0.00 0.00 H+0 HETATM 153 H UNK 0 -1.888 4.241 2.839 0.00 0.00 H+0 HETATM 154 H UNK 0 -2.678 2.359 2.242 0.00 0.00 H+0 HETATM 155 H UNK 0 -1.490 4.255 -0.146 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.976 5.608 0.878 0.00 0.00 H+0 HETATM 157 H UNK 0 0.257 4.069 2.363 0.00 0.00 H+0 HETATM 158 H UNK 0 -0.267 2.038 2.315 0.00 0.00 H+0 HETATM 159 H UNK 0 0.222 3.833 -1.511 0.00 0.00 H+0 HETATM 160 H UNK 0 1.785 4.672 -1.597 0.00 0.00 H+0 HETATM 161 H UNK 0 0.415 5.576 -0.931 0.00 0.00 H+0 HETATM 162 H UNK 0 3.140 4.742 0.381 0.00 0.00 H+0 HETATM 163 H UNK 0 3.387 3.220 2.662 0.00 0.00 H+0 HETATM 164 H UNK 0 2.395 1.003 2.170 0.00 0.00 H+0 HETATM 165 H UNK 0 4.187 1.494 -0.247 0.00 0.00 H+0 HETATM 166 H UNK 0 2.419 2.224 -1.519 0.00 0.00 H+0 HETATM 167 H UNK 0 1.210 1.292 -0.582 0.00 0.00 H+0 HETATM 168 H UNK 0 2.258 0.477 -1.737 0.00 0.00 H+0 HETATM 169 H UNK 0 -9.205 3.218 -0.384 0.00 0.00 H+0 HETATM 170 H UNK 0 -7.740 3.575 -1.384 0.00 0.00 H+0 HETATM 171 H UNK 0 -9.162 2.123 -2.619 0.00 0.00 H+0 HETATM 172 H UNK 0 -7.450 0.887 -3.210 0.00 0.00 H+0 HETATM 173 H UNK 0 -9.319 -0.301 -1.759 0.00 0.00 H+0 HETATM 174 H UNK 0 -11.208 0.242 -0.747 0.00 0.00 H+0 CONECT 1 2 78 79 80 CONECT 2 1 3 CONECT 3 2 4 6 CONECT 4 3 5 81 CONECT 5 4 82 83 84 CONECT 6 3 7 85 CONECT 7 6 8 86 87 CONECT 8 7 9 88 89 CONECT 9 8 10 90 91 CONECT 10 9 11 92 CONECT 11 10 12 93 CONECT 12 11 13 94 95 CONECT 13 12 14 96 97 CONECT 14 13 15 98 99 CONECT 15 14 16 17 100 CONECT 16 15 101 102 103 CONECT 17 15 18 71 104 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 23 CONECT 22 21 105 106 107 CONECT 23 21 24 108 CONECT 24 23 25 109 CONECT 25 24 26 110 CONECT 26 25 27 28 111 CONECT 27 26 112 113 114 CONECT 28 26 29 30 115 CONECT 29 28 116 CONECT 30 28 31 117 118 CONECT 31 30 32 33 119 CONECT 32 31 120 CONECT 33 31 34 35 121 CONECT 34 33 122 123 124 CONECT 35 33 36 37 125 CONECT 36 35 126 CONECT 37 35 38 127 128 CONECT 38 37 39 129 130 CONECT 39 38 40 41 131 CONECT 40 39 132 133 134 CONECT 41 39 42 43 135 CONECT 42 41 136 CONECT 43 41 44 137 138 CONECT 44 43 45 46 76 CONECT 45 44 139 CONECT 46 44 47 CONECT 47 46 48 73 140 CONECT 48 47 49 141 142 CONECT 49 48 50 51 143 CONECT 50 49 144 CONECT 51 49 52 145 146 CONECT 52 51 53 60 147 CONECT 53 52 54 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 148 149 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 150 CONECT 60 52 61 151 152 CONECT 61 60 62 63 153 CONECT 62 61 154 CONECT 63 61 64 155 156 CONECT 64 63 65 66 157 CONECT 65 64 158 CONECT 66 64 67 68 CONECT 67 66 159 160 161 CONECT 68 66 69 162 CONECT 69 68 70 163 CONECT 70 69 71 164 CONECT 71 70 72 17 165 CONECT 72 71 166 167 168 CONECT 73 47 74 169 170 CONECT 74 73 75 76 171 CONECT 75 74 172 CONECT 76 74 77 44 173 CONECT 77 76 174 CONECT 78 1 CONECT 79 1 CONECT 80 1 CONECT 81 4 CONECT 82 5 CONECT 83 5 CONECT 84 5 CONECT 85 6 CONECT 86 7 CONECT 87 7 CONECT 88 8 CONECT 89 8 CONECT 90 9 CONECT 91 9 CONECT 92 10 CONECT 93 11 CONECT 94 12 CONECT 95 12 CONECT 96 13 CONECT 97 13 CONECT 98 14 CONECT 99 14 CONECT 100 15 CONECT 101 16 CONECT 102 16 CONECT 103 16 CONECT 104 17 CONECT 105 22 CONECT 106 22 CONECT 107 22 CONECT 108 23 CONECT 109 24 CONECT 110 25 CONECT 111 26 CONECT 112 27 CONECT 113 27 CONECT 114 27 CONECT 115 28 CONECT 116 29 CONECT 117 30 CONECT 118 30 CONECT 119 31 CONECT 120 32 CONECT 121 33 CONECT 122 34 CONECT 123 34 CONECT 124 34 CONECT 125 35 CONECT 126 36 CONECT 127 37 CONECT 128 37 CONECT 129 38 CONECT 130 38 CONECT 131 39 CONECT 132 40 CONECT 133 40 CONECT 134 40 CONECT 135 41 CONECT 136 42 CONECT 137 43 CONECT 138 43 CONECT 139 45 CONECT 140 47 CONECT 141 48 CONECT 142 48 CONECT 143 49 CONECT 144 50 CONECT 145 51 CONECT 146 51 CONECT 147 52 CONECT 148 56 CONECT 149 56 CONECT 150 59 CONECT 151 60 CONECT 152 60 CONECT 153 61 CONECT 154 62 CONECT 155 63 CONECT 156 63 CONECT 157 64 CONECT 158 65 CONECT 159 67 CONECT 160 67 CONECT 161 67 CONECT 162 68 CONECT 163 69 CONECT 164 70 CONECT 165 71 CONECT 166 72 CONECT 167 72 CONECT 168 72 CONECT 169 73 CONECT 170 73 CONECT 171 74 CONECT 172 75 CONECT 173 76 CONECT 174 77 MASTER 0 0 0 0 0 0 0 0 174 0 350 0 END SMILES for NP0021631 (Azalomycin F5)[H]OC(=O)C([H])([H])C(=O)O[C@@]1([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]2([H])O[C@](O[H])(C([H])([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(\C([H])=C(\[H])/C(/[H])=C(\C(=O)O[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N/C([H])([H])[H])\N([H])C([H])([H])[H])[C@]([H])(\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])C2([H])[H] INCHI for NP0021631 (Azalomycin F5)InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17-,21-16-,34-19-,39-22-/t35-,36+,37+,38+,40+,41-,42-,43+,44+,45+,46-,47-,48+,49-,50-,53+,54+,57-/m1/s1 3D Structure for NP0021631 (Azalomycin F5) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C57H97N3O17 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1096.4070 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1095.68180 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 3-{[(1S,3S,5R,7S,9R,10Z,12Z,14S,15S,18Z,20Z,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(6E)-10-[(Z)-N',N''-dimethylcarbamimidamido]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy}-3-oxopropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 3-{[(1S,3S,5R,7S,9R,10Z,12Z,14S,15S,18Z,20Z,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(6E)-10-[(Z)-N',N''-dimethylcarbamimidamido]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy}-3-oxopropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CNC(NCCC\C=C\CCC[C@H](C)[C@@H]1OC(=O)\C(C)=C/C=C\[C@@H](C)[C@H](O)C[C@H](O)[C@@H](C)[C@@H](O)CC[C@H](C)[C@H](O)C[C@@]2(O)O[C@H](C[C@@H](O)[C@@H]2O)C[C@H](O)C[C@@H](C[C@@H](O)C[C@@H](O)\C(C)=C/C=C\[C@@H]1C)OC(=O)CC(O)=O)=NC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17-,21-16-,34-19-,39-22-/t35-,36+,37+,38+,40+,41-,42-,43+,44+,45+,46-,47-,48+,49-,50-,53+,54+,57-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ULHJRSBSTUGEPH-VGGXQRNASA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA021455 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
