Showing NP-Card for Salinipostin K (NP0013690)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-05 22:58:58 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:15:11 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0013690 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Salinipostin K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Salinipostin K is found in Salinispora sp. Based on a literature review very few articles have been published on Salinipostin K. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0013690 (Salinipostin K)Mrv1652306242119493D 65 66 0 0 0 0 999 V2000 8.5255 0.2134 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 0.7631 -0.1698 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7131 -0.3197 -1.1889 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0630 -0.0712 -2.4769 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6653 0.3578 -2.5277 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6393 -0.5147 -1.8269 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2762 0.0828 -2.0399 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2129 -0.5894 -1.2262 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6137 -0.4676 0.2205 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4882 -0.8167 1.2082 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4215 0.2538 1.0474 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6837 0.1745 1.9476 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6816 -0.9284 1.8639 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1915 -0.8001 0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 -0.3861 0.5935 P 0 0 2 0 0 5 0 0 0 0 0 0 -3.8789 0.9079 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 0.1578 2.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 0.3287 2.4319 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1986 0.9964 1.3112 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2732 1.9099 1.7746 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5153 1.3681 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3514 0.2152 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2815 -0.4211 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9248 -0.0840 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 -1.1220 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -2.0866 -0.7116 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5021 -2.3502 -2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.4433 0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.9946 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -0.5609 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -0.2858 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3898 1.6067 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 1.0679 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -1.3022 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -0.5313 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 0.7848 -2.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -0.9267 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.3626 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 1.4152 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6345 -1.5504 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -0.3774 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 1.1898 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 0.0181 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -0.2548 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 -1.7018 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.6097 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -1.0857 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -1.7911 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -0.7299 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 1.2834 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 0.1394 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.1658 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 0.1546 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -0.8524 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.9076 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 1.0374 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 -0.5896 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 1.5565 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 2.0716 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 2.8591 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 -1.6451 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2976 -3.0680 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -2.1261 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6362 -3.4267 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 -1.7313 -2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 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 25 28 1 0 0 0 0 28 15 1 0 0 0 0 24 19 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 6 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 M END 3D MOL for NP0013690 (Salinipostin K)RDKit 3D 65 66 0 0 0 0 0 0 0 0999 V2000 8.5255 0.2134 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 0.7631 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7131 -0.3197 -1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 -0.0712 -2.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 0.3578 -2.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -0.5147 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 0.0828 -2.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -0.5894 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 -0.4676 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -0.8167 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 0.2538 1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 0.1745 1.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 -0.9284 1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -0.8001 0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 -0.3861 0.5935 P 0 0 2 0 0 5 0 0 0 0 0 0 -3.8789 0.9079 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 0.1578 2.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 0.3287 2.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1986 0.9964 1.3112 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2732 1.9099 1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5153 1.3681 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3514 0.2152 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2815 -0.4211 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9248 -0.0840 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 -1.1220 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -2.0866 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5021 -2.3502 -2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.4433 0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.9946 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -0.5609 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -0.2858 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3898 1.6067 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 1.0679 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -1.3022 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -0.5313 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 0.7848 -2.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -0.9267 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.3626 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 1.4152 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6345 -1.5504 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -0.3774 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 1.1898 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 0.0181 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -0.2548 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 -1.7018 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.6097 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -1.0857 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -1.7911 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -0.7299 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 1.2834 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 0.1394 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.1658 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 0.1546 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -0.8524 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.9076 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 1.0374 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 -0.5896 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 1.5565 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 2.0716 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 2.8591 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 -1.6451 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2976 -3.0680 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -2.1261 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6362 -3.4267 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 -1.7313 -2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 14 1 1 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 25 28 1 0 28 15 1 0 24 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 18 56 1 0 18 57 1 0 19 58 1 6 20 59 1 0 20 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 M END 3D SDF for NP0013690 (Salinipostin K)Mrv1652306242119493D 65 66 0 0 0 0 999 V2000 8.5255 0.2134 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 0.7631 -0.1698 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7131 -0.3197 -1.1889 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0630 -0.0712 -2.4769 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6653 0.3578 -2.5277 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6393 -0.5147 -1.8269 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2762 0.0828 -2.0399 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2129 -0.5894 -1.2262 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6137 -0.4676 0.2205 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4882 -0.8167 1.2082 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4215 0.2538 1.0474 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6837 0.1745 1.9476 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6816 -0.9284 1.8639 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1915 -0.8001 0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 -0.3861 0.5935 P 0 0 2 0 0 5 0 0 0 0 0 0 -3.8789 0.9079 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 0.1578 2.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 0.3287 2.4319 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1986 0.9964 1.3112 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2732 1.9099 1.7746 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5153 1.3681 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3514 0.2152 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2815 -0.4211 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9248 -0.0840 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 -1.1220 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -2.0866 -0.7116 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5021 -2.3502 -2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.4433 0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.9946 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -0.5609 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -0.2858 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3898 1.6067 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 1.0679 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -1.3022 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -0.5313 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 0.7848 -2.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -0.9267 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.3626 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 1.4152 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6345 -1.5504 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -0.3774 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 1.1898 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 0.0181 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -0.2548 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 -1.7018 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.6097 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -1.0857 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -1.7911 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -0.7299 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 1.2834 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 0.1394 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.1658 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 0.1546 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -0.8524 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.9076 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 1.0374 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 -0.5896 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 1.5565 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 2.0716 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 2.8591 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 -1.6451 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2976 -3.0680 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -2.1261 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6362 -3.4267 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 -1.7313 -2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 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 25 28 1 0 0 0 0 28 15 1 0 0 0 0 24 19 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 6 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 M END > <DATABASE_ID> NP0013690 > <DATABASE_NAME> NP-MRD > <SMILES> [H]C([H])([H])C([H])([H])C1=C2C(=O)OC([H])([H])[C@@]2([H])C([H])([H])O[P@@](=O)(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O1 > <INCHI_IDENTIFIER> InChI=1S/C21H37O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-25-28(23)26-17-18-16-24-21(22)20(18)19(4-2)27-28/h18H,3-17H2,1-2H3/t18-,28+/m0/s1 > <INCHI_KEY> XTJJTQLRWAFCJL-XDBZFTIUSA-N > <FORMULA> C21H37O6P > <MOLECULAR_WEIGHT> 416.495 > <EXACT_MASS> 416.232775909 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 65 > <JCHEM_AVERAGE_POLARIZABILITY> 46.68432817819536 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,8aS)-5-ethyl-3-(tridecyloxy)-1H,3H,6H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione > <ALOGPS_LOGP> 5.35 > <JCHEM_LOGP> 5.754142893666666 > <ALOGPS_LOGS> -5.24 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -6.984936532874073 > <JCHEM_POLAR_SURFACE_AREA> 71.06 > <JCHEM_REFRACTIVITY> 110.16709999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 14 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.40e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,8aS)-5-ethyl-3-(tridecyloxy)-1H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0013690 (Salinipostin K)RDKit 3D 65 66 0 0 0 0 0 0 0 0999 V2000 8.5255 0.2134 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 0.7631 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7131 -0.3197 -1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 -0.0712 -2.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 0.3578 -2.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -0.5147 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 0.0828 -2.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -0.5894 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 -0.4676 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -0.8167 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 0.2538 1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 0.1745 1.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 -0.9284 1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -0.8001 0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 -0.3861 0.5935 P 0 0 2 0 0 5 0 0 0 0 0 0 -3.8789 0.9079 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 0.1578 2.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 0.3287 2.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1986 0.9964 1.3112 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2732 1.9099 1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5153 1.3681 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3514 0.2152 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2815 -0.4211 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9248 -0.0840 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 -1.1220 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -2.0866 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5021 -2.3502 -2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.4433 0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.9946 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -0.5609 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -0.2858 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3898 1.6067 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 1.0679 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -1.3022 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -0.5313 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 0.7848 -2.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -0.9267 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.3626 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 1.4152 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6345 -1.5504 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -0.3774 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 1.1898 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 0.0181 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -0.2548 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 -1.7018 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.6097 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -1.0857 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -1.7911 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -0.7299 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 1.2834 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 0.1394 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.1658 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 0.1546 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -0.8524 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.9076 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 1.0374 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 -0.5896 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 1.5565 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 2.0716 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 2.8591 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 -1.6451 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2976 -3.0680 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -2.1261 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6362 -3.4267 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 -1.7313 -2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 14 1 1 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 25 28 1 0 28 15 1 0 24 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 18 56 1 0 18 57 1 0 19 58 1 6 20 59 1 0 20 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 M END PDB for NP0013690 (Salinipostin K)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 8.525 0.213 1.078 0.00 0.00 C+0 HETATM 2 C UNK 0 7.786 0.763 -0.170 0.00 0.00 C+0 HETATM 3 C UNK 0 7.713 -0.320 -1.189 0.00 0.00 C+0 HETATM 4 C UNK 0 7.063 -0.071 -2.477 0.00 0.00 C+0 HETATM 5 C UNK 0 5.665 0.358 -2.528 0.00 0.00 C+0 HETATM 6 C UNK 0 4.639 -0.515 -1.827 0.00 0.00 C+0 HETATM 7 C UNK 0 3.276 0.083 -2.040 0.00 0.00 C+0 HETATM 8 C UNK 0 2.213 -0.589 -1.226 0.00 0.00 C+0 HETATM 9 C UNK 0 2.614 -0.468 0.221 0.00 0.00 C+0 HETATM 10 C UNK 0 1.488 -0.817 1.208 0.00 0.00 C+0 HETATM 11 C UNK 0 0.422 0.254 1.047 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.684 0.175 1.948 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.682 -0.928 1.864 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.192 -0.800 0.510 0.00 0.00 O+0 HETATM 15 P UNK 0 -3.795 -0.386 0.594 0.00 0.00 P+0 HETATM 16 O UNK 0 -3.879 0.908 -0.295 0.00 0.00 O+0 HETATM 17 O UNK 0 -4.114 0.158 2.174 0.00 0.00 O+0 HETATM 18 C UNK 0 -5.454 0.329 2.432 0.00 0.00 C+0 HETATM 19 C UNK 0 -6.199 0.996 1.311 0.00 0.00 C+0 HETATM 20 C UNK 0 -7.273 1.910 1.775 0.00 0.00 C+0 HETATM 21 O UNK 0 -8.515 1.368 1.410 0.00 0.00 O+0 HETATM 22 C UNK 0 -8.351 0.215 0.608 0.00 0.00 C+0 HETATM 23 O UNK 0 -9.281 -0.421 0.051 0.00 0.00 O+0 HETATM 24 C UNK 0 -6.925 -0.084 0.554 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.342 -1.122 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.173 -2.087 -0.712 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.502 -2.350 -2.092 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.912 -1.443 0.009 0.00 0.00 O+0 HETATM 29 H UNK 0 8.803 0.995 1.778 0.00 0.00 H+0 HETATM 30 H UNK 0 7.851 -0.561 1.510 0.00 0.00 H+0 HETATM 31 H UNK 0 9.432 -0.286 0.688 0.00 0.00 H+0 HETATM 32 H UNK 0 8.390 1.607 -0.542 0.00 0.00 H+0 HETATM 33 H UNK 0 6.799 1.068 0.233 0.00 0.00 H+0 HETATM 34 H UNK 0 7.401 -1.302 -0.706 0.00 0.00 H+0 HETATM 35 H UNK 0 8.818 -0.531 -1.451 0.00 0.00 H+0 HETATM 36 H UNK 0 7.668 0.785 -2.967 0.00 0.00 H+0 HETATM 37 H UNK 0 7.307 -0.927 -3.157 0.00 0.00 H+0 HETATM 38 H UNK 0 5.309 0.363 -3.602 0.00 0.00 H+0 HETATM 39 H UNK 0 5.529 1.415 -2.199 0.00 0.00 H+0 HETATM 40 H UNK 0 4.635 -1.550 -2.124 0.00 0.00 H+0 HETATM 41 H UNK 0 4.854 -0.377 -0.733 0.00 0.00 H+0 HETATM 42 H UNK 0 3.257 1.190 -1.729 0.00 0.00 H+0 HETATM 43 H UNK 0 3.011 0.018 -3.143 0.00 0.00 H+0 HETATM 44 H UNK 0 1.218 -0.255 -1.459 0.00 0.00 H+0 HETATM 45 H UNK 0 2.334 -1.702 -1.460 0.00 0.00 H+0 HETATM 46 H UNK 0 2.868 0.610 0.442 0.00 0.00 H+0 HETATM 47 H UNK 0 3.476 -1.086 0.516 0.00 0.00 H+0 HETATM 48 H UNK 0 1.089 -1.791 0.966 0.00 0.00 H+0 HETATM 49 H UNK 0 1.909 -0.730 2.208 0.00 0.00 H+0 HETATM 50 H UNK 0 0.875 1.283 0.996 0.00 0.00 H+0 HETATM 51 H UNK 0 0.010 0.139 -0.036 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.290 1.166 1.977 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.279 0.155 3.010 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.466 -0.852 2.604 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.226 -1.908 1.926 0.00 0.00 H+0 HETATM 56 H UNK 0 -5.496 1.037 3.319 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.968 -0.590 2.755 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.510 1.557 0.627 0.00 0.00 H+0 HETATM 59 H UNK 0 -7.146 2.072 2.873 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.182 2.859 1.194 0.00 0.00 H+0 HETATM 61 H UNK 0 -8.152 -1.645 -1.022 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.298 -3.068 -0.252 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.402 -2.126 -2.016 0.00 0.00 H+0 HETATM 64 H UNK 0 -6.636 -3.427 -2.381 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.924 -1.731 -2.881 0.00 0.00 H+0 CONECT 1 2 29 30 31 CONECT 2 1 3 32 33 CONECT 3 2 4 34 35 CONECT 4 3 5 36 37 CONECT 5 4 6 38 39 CONECT 6 5 7 40 41 CONECT 7 6 8 42 43 CONECT 8 7 9 44 45 CONECT 9 8 10 46 47 CONECT 10 9 11 48 49 CONECT 11 10 12 50 51 CONECT 12 11 13 52 53 CONECT 13 12 14 54 55 CONECT 14 13 15 CONECT 15 14 16 17 28 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 56 57 CONECT 19 18 20 24 58 CONECT 20 19 21 59 60 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 19 CONECT 25 24 26 28 CONECT 26 25 27 61 62 CONECT 27 26 63 64 65 CONECT 28 25 15 CONECT 29 1 CONECT 30 1 CONECT 31 1 CONECT 32 2 CONECT 33 2 CONECT 34 3 CONECT 35 3 CONECT 36 4 CONECT 37 4 CONECT 38 5 CONECT 39 5 CONECT 40 6 CONECT 41 6 CONECT 42 7 CONECT 43 7 CONECT 44 8 CONECT 45 8 CONECT 46 9 CONECT 47 9 CONECT 48 10 CONECT 49 10 CONECT 50 11 CONECT 51 11 CONECT 52 12 CONECT 53 12 CONECT 54 13 CONECT 55 13 CONECT 56 18 CONECT 57 18 CONECT 58 19 CONECT 59 20 CONECT 60 20 CONECT 61 26 CONECT 62 26 CONECT 63 27 CONECT 64 27 CONECT 65 27 MASTER 0 0 0 0 0 0 0 0 65 0 132 0 END SMILES for NP0013690 (Salinipostin K)[H]C([H])([H])C([H])([H])C1=C2C(=O)OC([H])([H])[C@@]2([H])C([H])([H])O[P@@](=O)(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O1 INCHI for NP0013690 (Salinipostin K)InChI=1S/C21H37O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-25-28(23)26-17-18-16-24-21(22)20(18)19(4-2)27-28/h18H,3-17H2,1-2H3/t18-,28+/m0/s1 3D Structure for NP0013690 (Salinipostin K) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C21H37O6P | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 416.4950 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 416.23278 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,8aS)-5-ethyl-3-(tridecyloxy)-1H,3H,6H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,8aS)-5-ethyl-3-(tridecyloxy)-1H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCCCO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(CC)O1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C21H37O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-25-28(23)26-17-18-16-24-21(22)20(18)19(4-2)27-28/h18H,3-17H2,1-2H3/t18-,28+/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | XTJJTQLRWAFCJL-XDBZFTIUSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA009946 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 35516700 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 129903145 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |