Showing NP-Card for Termitomycamide E (NP0009499)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 06:52:11 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:03:26 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0009499 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Termitomycamide E | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Termitomycamide E belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Termitomycamide E is found in Termitomyces titanicus. It was first documented in 2010 (PMID: 20936815). Based on a literature review very few articles have been published on Termitomycamide E. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0009499 (Termitomycamide E)Mrv1652306242106363D 70 70 0 0 0 0 999 V2000 -7.2330 4.4572 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9723 3.8800 0.1732 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4451 2.4616 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7938 1.5296 -0.6687 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2848 1.4546 -0.5311 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8570 1.0021 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.0812 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -0.9944 -0.1068 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2351 -2.3367 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -3.3944 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -3.3657 0.2569 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4130 -3.8223 1.5824 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0989 -3.7660 1.5069 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6316 -4.6457 0.4312 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1368 -4.6042 0.3875 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 -3.2115 0.1171 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1272 -3.1341 0.0452 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4884 -1.7191 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -0.8834 -0.3429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -1.3174 -0.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1801 0.0554 -0.6069 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7035 0.9433 0.4867 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0353 2.3737 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 2.8900 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 4.2166 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 5.0766 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 6.4181 -0.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 4.5574 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 3.2315 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8366 3.7936 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 5.4758 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2587 4.6096 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5371 4.4590 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9168 3.9669 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5507 2.4114 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 2.0595 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 0.5291 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0712 1.8629 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 0.9614 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 2.5369 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 1.6198 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -0.3097 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -0.9851 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -0.6087 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 -2.4112 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3541 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 -4.2427 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -2.5201 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -3.1771 2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 -4.8566 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -2.6926 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -4.0583 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -4.2669 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -5.6860 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -4.9138 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 -5.2744 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.7885 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -2.5525 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -3.8128 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -3.4625 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 -2.0399 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 0.1709 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 0.3331 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.8699 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 0.5905 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9072 2.2263 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 4.6256 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 6.5967 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 5.2222 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 2.8209 -0.7747 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 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 23 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 M END 3D MOL for NP0009499 (Termitomycamide E)RDKit 3D 70 70 0 0 0 0 0 0 0 0999 V2000 -7.2330 4.4572 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9723 3.8800 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4451 2.4616 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7938 1.5296 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 1.4546 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 1.0021 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.0812 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -0.9944 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 -2.3367 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -3.3944 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -3.3657 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -3.8223 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -3.7660 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 -4.6457 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -4.6042 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.2115 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -3.1341 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 -1.7191 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -0.8834 -0.3429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -1.3174 -0.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1801 0.0554 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 0.9433 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0353 2.3737 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 2.8900 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 4.2166 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 5.0766 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 6.4181 -0.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 4.5574 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 3.2315 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8366 3.7936 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 5.4758 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2587 4.6096 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5371 4.4590 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9168 3.9669 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5507 2.4114 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 2.0595 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 0.5291 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0712 1.8629 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 0.9614 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 2.5369 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 1.6198 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -0.3097 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -0.9851 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -0.6087 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 -2.4112 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3541 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 -4.2427 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -2.5201 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -3.1771 2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 -4.8566 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -2.6926 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -4.0583 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -4.2669 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -5.6860 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -4.9138 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 -5.2744 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.7885 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -2.5525 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -3.8128 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -3.4625 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 -2.0399 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 0.1709 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 0.3331 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.8699 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 0.5905 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9072 2.2263 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 4.6256 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 6.5967 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 5.2222 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 2.8209 -0.7747 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 23 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 24 66 1 0 25 67 1 0 27 68 1 0 28 69 1 0 29 70 1 0 M END 3D SDF for NP0009499 (Termitomycamide E)Mrv1652306242106363D 70 70 0 0 0 0 999 V2000 -7.2330 4.4572 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9723 3.8800 0.1732 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4451 2.4616 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7938 1.5296 -0.6687 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2848 1.4546 -0.5311 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8570 1.0021 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.0812 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -0.9944 -0.1068 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2351 -2.3367 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -3.3944 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -3.3657 0.2569 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4130 -3.8223 1.5824 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0989 -3.7660 1.5069 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6316 -4.6457 0.4312 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1368 -4.6042 0.3875 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 -3.2115 0.1171 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1272 -3.1341 0.0452 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4884 -1.7191 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -0.8834 -0.3429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -1.3174 -0.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1801 0.0554 -0.6069 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7035 0.9433 0.4867 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0353 2.3737 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 2.8900 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 4.2166 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 5.0766 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 6.4181 -0.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 4.5574 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 3.2315 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8366 3.7936 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 5.4758 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2587 4.6096 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5371 4.4590 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9168 3.9669 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5507 2.4114 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 2.0595 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 0.5291 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0712 1.8629 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 0.9614 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 2.5369 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 1.6198 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -0.3097 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -0.9851 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -0.6087 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 -2.4112 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3541 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 -4.2427 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -2.5201 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -3.1771 2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 -4.8566 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -2.6926 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -4.0583 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -4.2669 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -5.6860 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -4.9138 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 -5.2744 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.7885 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -2.5525 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -3.8128 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -3.4625 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 -2.0399 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 0.1709 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 0.3331 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.8699 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 0.5905 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9072 2.2263 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 4.6256 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 6.5967 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 5.2222 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 2.8209 -0.7747 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 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 23 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 M END > <DATABASE_ID> NP0009499 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)27-23-22-24-18-20-25(28)21-19-24/h6-7,9-10,18-21,28H,2-5,8,11-17,22-23H2,1H3,(H,27,29)/b7-6-,10-9- > <INCHI_KEY> JTSNNDBVDQFVEG-HZJYTTRNSA-N > <FORMULA> C26H41NO2 > <MOLECULAR_WEIGHT> 399.619 > <EXACT_MASS> 399.313729564 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 70 > <JCHEM_AVERAGE_POLARIZABILITY> 50.448930047010755 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (9Z,12Z)-N-[2-(4-hydroxyphenyl)ethyl]octadeca-9,12-dienamide > <ALOGPS_LOGP> 8.18 > <JCHEM_LOGP> 7.548179247 > <ALOGPS_LOGS> -6.63 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 16.316331249968865 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.504587601304053 > <JCHEM_PKA_STRONGEST_BASIC> -1.2661573741452985 > <JCHEM_POLAR_SURFACE_AREA> 49.33 > <JCHEM_REFRACTIVITY> 126.58619999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 17 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 9.34e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> (9Z,12Z)-N-[2-(4-hydroxyphenyl)ethyl]octadeca-9,12-dienamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0009499 (Termitomycamide E)RDKit 3D 70 70 0 0 0 0 0 0 0 0999 V2000 -7.2330 4.4572 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9723 3.8800 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4451 2.4616 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7938 1.5296 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 1.4546 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 1.0021 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.0812 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -0.9944 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 -2.3367 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -3.3944 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -3.3657 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -3.8223 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -3.7660 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 -4.6457 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -4.6042 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.2115 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -3.1341 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 -1.7191 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -0.8834 -0.3429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -1.3174 -0.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1801 0.0554 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 0.9433 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0353 2.3737 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 2.8900 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 4.2166 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 5.0766 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 6.4181 -0.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 4.5574 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 3.2315 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8366 3.7936 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 5.4758 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2587 4.6096 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5371 4.4590 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9168 3.9669 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5507 2.4114 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 2.0595 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 0.5291 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0712 1.8629 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 0.9614 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 2.5369 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 1.6198 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -0.3097 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -0.9851 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -0.6087 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 -2.4112 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3541 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 -4.2427 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -2.5201 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -3.1771 2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 -4.8566 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -2.6926 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -4.0583 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -4.2669 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -5.6860 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -4.9138 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 -5.2744 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.7885 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -2.5525 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -3.8128 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -3.4625 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 -2.0399 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 0.1709 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 0.3331 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.8699 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 0.5905 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9072 2.2263 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 4.6256 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 6.5967 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 5.2222 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 2.8209 -0.7747 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 23 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 24 66 1 0 25 67 1 0 27 68 1 0 28 69 1 0 29 70 1 0 M END PDB for NP0009499 (Termitomycamide E)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 -7.233 4.457 -1.181 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.972 3.880 0.173 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.445 2.462 0.304 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.794 1.530 -0.669 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.285 1.455 -0.531 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.857 1.002 0.785 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.139 -0.081 1.001 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.668 -0.994 -0.107 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.235 -2.337 0.137 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.484 -3.394 0.300 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.018 -3.366 0.257 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.413 -3.822 1.582 0.00 0.00 C+0 HETATM 13 C UNK 0 0.099 -3.766 1.507 0.00 0.00 C+0 HETATM 14 C UNK 0 0.632 -4.646 0.431 0.00 0.00 C+0 HETATM 15 C UNK 0 2.137 -4.604 0.388 0.00 0.00 C+0 HETATM 16 C UNK 0 2.598 -3.212 0.117 0.00 0.00 C+0 HETATM 17 C UNK 0 4.127 -3.134 0.045 0.00 0.00 C+0 HETATM 18 C UNK 0 4.488 -1.719 -0.226 0.00 0.00 C+0 HETATM 19 O UNK 0 3.561 -0.883 -0.343 0.00 0.00 O+0 HETATM 20 N UNK 0 5.844 -1.317 -0.349 0.00 0.00 N+0 HETATM 21 C UNK 0 6.180 0.055 -0.607 0.00 0.00 C+0 HETATM 22 C UNK 0 5.704 0.943 0.487 0.00 0.00 C+0 HETATM 23 C UNK 0 6.035 2.374 0.259 0.00 0.00 C+0 HETATM 24 C UNK 0 7.226 2.890 0.726 0.00 0.00 C+0 HETATM 25 C UNK 0 7.569 4.217 0.533 0.00 0.00 C+0 HETATM 26 C UNK 0 6.724 5.077 -0.139 0.00 0.00 C+0 HETATM 27 O UNK 0 7.070 6.418 -0.335 0.00 0.00 O+0 HETATM 28 C UNK 0 5.534 4.557 -0.605 0.00 0.00 C+0 HETATM 29 C UNK 0 5.190 3.232 -0.413 0.00 0.00 C+0 HETATM 30 H UNK 0 -7.837 3.794 -1.837 0.00 0.00 H+0 HETATM 31 H UNK 0 -7.692 5.476 -1.076 0.00 0.00 H+0 HETATM 32 H UNK 0 -6.259 4.610 -1.722 0.00 0.00 H+0 HETATM 33 H UNK 0 -7.537 4.459 0.960 0.00 0.00 H+0 HETATM 34 H UNK 0 -5.917 3.967 0.422 0.00 0.00 H+0 HETATM 35 H UNK 0 -8.551 2.411 0.078 0.00 0.00 H+0 HETATM 36 H UNK 0 -7.315 2.059 1.328 0.00 0.00 H+0 HETATM 37 H UNK 0 -7.270 0.529 -0.540 0.00 0.00 H+0 HETATM 38 H UNK 0 -7.071 1.863 -1.690 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.904 0.961 -1.409 0.00 0.00 H+0 HETATM 40 H UNK 0 -4.946 2.537 -0.624 0.00 0.00 H+0 HETATM 41 H UNK 0 -5.163 1.620 1.649 0.00 0.00 H+0 HETATM 42 H UNK 0 -3.885 -0.310 2.030 0.00 0.00 H+0 HETATM 43 H UNK 0 -2.562 -0.985 0.006 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.870 -0.609 -1.103 0.00 0.00 H+0 HETATM 45 H UNK 0 -5.350 -2.411 0.178 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.029 -4.354 0.480 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.746 -4.243 -0.446 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.522 -2.520 -0.172 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.814 -3.177 2.363 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.733 -4.857 1.782 0.00 0.00 H+0 HETATM 51 H UNK 0 0.415 -2.693 1.382 0.00 0.00 H+0 HETATM 52 H UNK 0 0.480 -4.058 2.507 0.00 0.00 H+0 HETATM 53 H UNK 0 0.251 -4.267 -0.565 0.00 0.00 H+0 HETATM 54 H UNK 0 0.275 -5.686 0.488 0.00 0.00 H+0 HETATM 55 H UNK 0 2.567 -4.914 1.366 0.00 0.00 H+0 HETATM 56 H UNK 0 2.544 -5.274 -0.414 0.00 0.00 H+0 HETATM 57 H UNK 0 2.221 -2.789 -0.830 0.00 0.00 H+0 HETATM 58 H UNK 0 2.350 -2.553 1.003 0.00 0.00 H+0 HETATM 59 H UNK 0 4.469 -3.813 -0.769 0.00 0.00 H+0 HETATM 60 H UNK 0 4.594 -3.462 0.985 0.00 0.00 H+0 HETATM 61 H UNK 0 6.591 -2.040 -0.249 0.00 0.00 H+0 HETATM 62 H UNK 0 7.299 0.171 -0.709 0.00 0.00 H+0 HETATM 63 H UNK 0 5.790 0.333 -1.609 0.00 0.00 H+0 HETATM 64 H UNK 0 4.618 0.870 0.668 0.00 0.00 H+0 HETATM 65 H UNK 0 6.186 0.591 1.442 0.00 0.00 H+0 HETATM 66 H UNK 0 7.907 2.226 1.260 0.00 0.00 H+0 HETATM 67 H UNK 0 8.511 4.626 0.902 0.00 0.00 H+0 HETATM 68 H UNK 0 7.591 6.597 -1.207 0.00 0.00 H+0 HETATM 69 H UNK 0 4.877 5.222 -1.127 0.00 0.00 H+0 HETATM 70 H UNK 0 4.261 2.821 -0.775 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 1 3 33 34 CONECT 3 2 4 35 36 CONECT 4 3 5 37 38 CONECT 5 4 6 39 40 CONECT 6 5 7 41 CONECT 7 6 8 42 CONECT 8 7 9 43 44 CONECT 9 8 10 45 CONECT 10 9 11 46 CONECT 11 10 12 47 48 CONECT 12 11 13 49 50 CONECT 13 12 14 51 52 CONECT 14 13 15 53 54 CONECT 15 14 16 55 56 CONECT 16 15 17 57 58 CONECT 17 16 18 59 60 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 61 CONECT 21 20 22 62 63 CONECT 22 21 23 64 65 CONECT 23 22 24 29 CONECT 24 23 25 66 CONECT 25 24 26 67 CONECT 26 25 27 28 CONECT 27 26 68 CONECT 28 26 29 69 CONECT 29 28 23 70 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 2 CONECT 34 2 CONECT 35 3 CONECT 36 3 CONECT 37 4 CONECT 38 4 CONECT 39 5 CONECT 40 5 CONECT 41 6 CONECT 42 7 CONECT 43 8 CONECT 44 8 CONECT 45 9 CONECT 46 10 CONECT 47 11 CONECT 48 11 CONECT 49 12 CONECT 50 12 CONECT 51 13 CONECT 52 13 CONECT 53 14 CONECT 54 14 CONECT 55 15 CONECT 56 15 CONECT 57 16 CONECT 58 16 CONECT 59 17 CONECT 60 17 CONECT 61 20 CONECT 62 21 CONECT 63 21 CONECT 64 22 CONECT 65 22 CONECT 66 24 CONECT 67 25 CONECT 68 27 CONECT 69 28 CONECT 70 29 MASTER 0 0 0 0 0 0 0 0 70 0 140 0 END SMILES for NP0009499 (Termitomycamide E)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0009499 (Termitomycamide E)InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)27-23-22-24-18-20-25(28)21-19-24/h6-7,9-10,18-21,28H,2-5,8,11-17,22-23H2,1H3,(H,27,29)/b7-6-,10-9- 3D Structure for NP0009499 (Termitomycamide E) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C26H41NO2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 399.6190 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 399.31373 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (9Z,12Z)-N-[2-(4-hydroxyphenyl)ethyl]octadeca-9,12-dienamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (9Z,12Z)-N-[2-(4-hydroxyphenyl)ethyl]octadeca-9,12-dienamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCC1=CC=C(O)C=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)27-23-22-24-18-20-25(28)21-19-24/h6-7,9-10,18-21,28H,2-5,8,11-17,22-23H2,1H3,(H,27,29)/b7-6-,10-9- | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | JTSNNDBVDQFVEG-HZJYTTRNSA-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 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Benzenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Phenols | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | 1-hydroxy-2-unsubstituted benzenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | 1-hydroxy-2-unsubstituted benzenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Substituents |
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Molecular Framework | Aromatic homomonocyclic 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 | NPA017000 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | C00056564 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 29342170 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 44222268 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |