Showing NP-Card for Myxalamid A (NP0021843)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 07:06:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:37:26 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0021843 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Myxalamid A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Myxalamid A is found in Myxococcus and Myxococcus xanthus. It was first documented in 1983 (PMID: 6415031). Based on a literature review very few articles have been published on (2E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0021843 (Myxalamid A)Mrv1652306242105193D 71 70 0 0 0 0 999 V2000 -8.4819 4.8523 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5417 3.3825 0.4841 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6454 2.5117 1.2902 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9063 2.5459 2.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 2.7913 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 1.8615 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2117 0.6234 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.8867 0.2431 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6379 1.5799 -1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.8170 1.1287 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3960 1.2285 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 0.1471 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -0.0055 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.6975 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -1.1329 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -1.9295 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -2.9282 -1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -3.5084 -2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -2.8513 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -3.1779 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -2.5010 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -2.4641 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -3.1304 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 -1.6940 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -1.0327 0.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3594 -1.7094 -1.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 -0.9514 -0.2861 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1354 -1.9123 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 -0.1956 -1.2242 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5032 0.6735 -1.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7792 5.3628 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5176 5.2674 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3248 5.1049 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6132 3.0530 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5233 3.1141 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8884 1.4625 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6496 3.3011 3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4119 1.5527 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 2.5661 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 3.7128 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5043 -0.0173 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0043 0.9744 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 0.0457 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 2.8854 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 1.2940 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 0.0064 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 2.1664 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 1.3702 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 0.3707 3.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 -0.5091 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.4317 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 1.8089 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 0.4082 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.8937 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -1.8766 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -3.4706 -2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -4.3075 -2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -2.2060 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -3.8347 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -2.1825 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.1634 -3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -4.1158 -2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -2.5072 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5523 -2.2890 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -0.2537 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -2.1912 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 -2.8271 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 -1.3805 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 -0.7914 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 0.4557 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7398 0.7192 -2.9193 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 6 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 1 0 0 0 9 45 1 0 0 0 0 10 46 1 1 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 1 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 M END 3D MOL for NP0021843 (Myxalamid A)RDKit 3D 71 70 0 0 0 0 0 0 0 0999 V2000 -8.4819 4.8523 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5417 3.3825 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6454 2.5117 1.2902 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9063 2.5459 2.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 2.7913 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 1.8615 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2117 0.6234 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.8867 0.2431 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6379 1.5799 -1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.8170 1.1287 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3960 1.2285 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 0.1471 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -0.0055 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.6975 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -1.1329 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -1.9295 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -2.9282 -1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -3.5084 -2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -2.8513 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -3.1779 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -2.5010 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -2.4641 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -3.1304 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 -1.6940 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -1.0327 0.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3594 -1.7094 -1.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 -0.9514 -0.2861 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1354 -1.9123 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 -0.1956 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5032 0.6735 -1.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7792 5.3628 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5176 5.2674 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3248 5.1049 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6132 3.0530 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5233 3.1141 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8884 1.4625 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6496 3.3011 3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4119 1.5527 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 2.5661 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 3.7128 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5043 -0.0173 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0043 0.9744 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 0.0457 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 2.8854 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 1.2940 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 0.0064 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 2.1664 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 1.3702 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 0.3707 3.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 -0.5091 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.4317 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 1.8089 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 0.4082 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.8937 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -1.8766 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -3.4706 -2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -4.3075 -2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -2.2060 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -3.8347 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -2.1825 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.1634 -3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -4.1158 -2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -2.5072 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5523 -2.2890 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -0.2537 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -2.1912 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 -2.8271 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 -1.3805 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 -0.7914 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 0.4557 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7398 0.7192 -2.9193 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 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 6 4 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 7 41 1 0 7 42 1 0 7 43 1 0 8 44 1 1 9 45 1 0 10 46 1 1 11 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 14 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 23 61 1 0 23 62 1 0 23 63 1 0 26 64 1 0 27 65 1 1 28 66 1 0 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 M END 3D SDF for NP0021843 (Myxalamid A)Mrv1652306242105193D 71 70 0 0 0 0 999 V2000 -8.4819 4.8523 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5417 3.3825 0.4841 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6454 2.5117 1.2902 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9063 2.5459 2.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 2.7913 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 1.8615 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2117 0.6234 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.8867 0.2431 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6379 1.5799 -1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.8170 1.1287 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3960 1.2285 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 0.1471 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -0.0055 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.6975 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -1.1329 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -1.9295 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -2.9282 -1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -3.5084 -2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -2.8513 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -3.1779 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -2.5010 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -2.4641 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -3.1304 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 -1.6940 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -1.0327 0.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3594 -1.7094 -1.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 -0.9514 -0.2861 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1354 -1.9123 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 -0.1956 -1.2242 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5032 0.6735 -1.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7792 5.3628 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5176 5.2674 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3248 5.1049 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6132 3.0530 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5233 3.1141 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8884 1.4625 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6496 3.3011 3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4119 1.5527 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 2.5661 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 3.7128 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5043 -0.0173 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0043 0.9744 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 0.0457 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 2.8854 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 1.2940 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 0.0064 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 2.1664 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 1.3702 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 0.3707 3.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 -0.5091 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.4317 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 1.8089 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 0.4082 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.8937 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -1.8766 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -3.4706 -2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -4.3075 -2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -2.2060 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -3.8347 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -2.1825 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.1634 -3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -4.1158 -2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -2.5072 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5523 -2.2890 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -0.2537 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -2.1912 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 -2.8271 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 -1.3805 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 -0.7914 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 0.4557 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7398 0.7192 -2.9193 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 6 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 1 0 0 0 9 45 1 0 0 0 0 10 46 1 1 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 1 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 M END > <DATABASE_ID> NP0021843 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]([H])(N([H])C(=O)C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])=C([H])C(=C(/[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C(=C(/[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19-,23+,24-,25-/m0/s1 > <INCHI_KEY> GDEZZTBHSFKRJN-CCICZWJZSA-N > <FORMULA> C26H41NO3 > <MOLECULAR_WEIGHT> 415.618 > <EXACT_MASS> 415.308644184 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 71 > <JCHEM_AVERAGE_POLARIZABILITY> 52.83318741519637 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2E,4E,6Z,10E,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide > <ALOGPS_LOGP> 5.51 > <JCHEM_LOGP> 4.780595667 > <ALOGPS_LOGS> -5.17 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 16.16395324712373 > <JCHEM_PKA_STRONGEST_ACIDIC> 15.039230498042883 > <JCHEM_PKA_STRONGEST_BASIC> -0.12651805768817825 > <JCHEM_POLAR_SURFACE_AREA> 69.56 > <JCHEM_REFRACTIVITY> 133.8487 > <JCHEM_ROTATABLE_BOND_COUNT> 12 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 2.84e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2E,4E,6Z,10E,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0021843 (Myxalamid A)RDKit 3D 71 70 0 0 0 0 0 0 0 0999 V2000 -8.4819 4.8523 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5417 3.3825 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6454 2.5117 1.2902 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9063 2.5459 2.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 2.7913 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 1.8615 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2117 0.6234 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.8867 0.2431 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6379 1.5799 -1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.8170 1.1287 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3960 1.2285 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 0.1471 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -0.0055 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.6975 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -1.1329 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -1.9295 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -2.9282 -1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -3.5084 -2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -2.8513 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -3.1779 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -2.5010 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -2.4641 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -3.1304 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 -1.6940 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -1.0327 0.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3594 -1.7094 -1.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 -0.9514 -0.2861 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1354 -1.9123 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 -0.1956 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5032 0.6735 -1.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7792 5.3628 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5176 5.2674 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3248 5.1049 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6132 3.0530 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5233 3.1141 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8884 1.4625 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6496 3.3011 3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4119 1.5527 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 2.5661 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 3.7128 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5043 -0.0173 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0043 0.9744 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 0.0457 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 2.8854 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 1.2940 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 0.0064 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 2.1664 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 1.3702 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 0.3707 3.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 -0.5091 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.4317 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 1.8089 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 0.4082 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.8937 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -1.8766 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -3.4706 -2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -4.3075 -2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -2.2060 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -3.8347 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -2.1825 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.1634 -3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -4.1158 -2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -2.5072 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5523 -2.2890 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -0.2537 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -2.1912 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 -2.8271 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 -1.3805 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 -0.7914 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 0.4557 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7398 0.7192 -2.9193 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 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 6 4 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 7 41 1 0 7 42 1 0 7 43 1 0 8 44 1 1 9 45 1 0 10 46 1 1 11 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 14 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 23 61 1 0 23 62 1 0 23 63 1 0 26 64 1 0 27 65 1 1 28 66 1 0 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 M END PDB for NP0021843 (Myxalamid A)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 -8.482 4.852 0.730 0.00 0.00 C+0 HETATM 2 C UNK 0 -8.542 3.382 0.484 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.645 2.512 1.290 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.906 2.546 2.782 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.204 2.791 1.120 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.473 1.861 0.495 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.212 0.623 0.017 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.046 1.887 0.243 0.00 0.00 C+0 HETATM 9 O UNK 0 -3.638 1.580 -1.055 0.00 0.00 O+0 HETATM 10 C UNK 0 -3.295 0.817 1.129 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.396 1.228 2.550 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.310 0.147 0.469 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.946 -0.006 0.659 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.413 0.698 1.712 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.574 -1.133 -0.309 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.203 -1.930 -0.970 0.00 0.00 C+0 HETATM 17 C UNK 0 0.199 -2.928 -1.812 0.00 0.00 C+0 HETATM 18 C UNK 0 1.255 -3.508 -2.209 0.00 0.00 C+0 HETATM 19 C UNK 0 2.478 -2.851 -1.472 0.00 0.00 C+0 HETATM 20 C UNK 0 3.695 -3.178 -1.907 0.00 0.00 C+0 HETATM 21 C UNK 0 4.714 -2.501 -1.072 0.00 0.00 C+0 HETATM 22 C UNK 0 6.009 -2.464 -1.415 0.00 0.00 C+0 HETATM 23 C UNK 0 6.373 -3.130 -2.695 0.00 0.00 C+0 HETATM 24 C UNK 0 6.926 -1.694 -0.574 0.00 0.00 C+0 HETATM 25 O UNK 0 6.726 -1.033 0.420 0.00 0.00 O+0 HETATM 26 N UNK 0 8.359 -1.709 -1.011 0.00 0.00 N+0 HETATM 27 C UNK 0 9.343 -0.951 -0.286 0.00 0.00 C+0 HETATM 28 C UNK 0 10.135 -1.912 0.620 0.00 0.00 C+0 HETATM 29 C UNK 0 10.265 -0.196 -1.224 0.00 0.00 C+0 HETATM 30 O UNK 0 9.503 0.674 -1.950 0.00 0.00 O+0 HETATM 31 H UNK 0 -7.779 5.363 0.019 0.00 0.00 H+0 HETATM 32 H UNK 0 -9.518 5.267 0.445 0.00 0.00 H+0 HETATM 33 H UNK 0 -8.325 5.105 1.781 0.00 0.00 H+0 HETATM 34 H UNK 0 -9.613 3.053 0.825 0.00 0.00 H+0 HETATM 35 H UNK 0 -8.523 3.114 -0.584 0.00 0.00 H+0 HETATM 36 H UNK 0 -7.888 1.462 0.982 0.00 0.00 H+0 HETATM 37 H UNK 0 -8.650 3.301 3.041 0.00 0.00 H+0 HETATM 38 H UNK 0 -8.412 1.553 3.083 0.00 0.00 H+0 HETATM 39 H UNK 0 -6.967 2.566 3.356 0.00 0.00 H+0 HETATM 40 H UNK 0 -5.719 3.713 1.459 0.00 0.00 H+0 HETATM 41 H UNK 0 -5.504 -0.017 -0.602 0.00 0.00 H+0 HETATM 42 H UNK 0 -7.004 0.974 -0.695 0.00 0.00 H+0 HETATM 43 H UNK 0 -6.530 0.046 0.868 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.655 2.885 0.455 0.00 0.00 H+0 HETATM 45 H UNK 0 -4.432 1.294 -1.566 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.219 0.006 1.102 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.903 2.166 2.831 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.511 1.370 2.820 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.166 0.371 3.276 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.595 -0.509 -0.461 0.00 0.00 H+0 HETATM 51 H UNK 0 0.669 0.432 1.945 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.372 1.809 1.655 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.890 0.408 2.724 0.00 0.00 H+0 HETATM 54 H UNK 0 0.788 -0.894 0.113 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.550 -1.877 -1.541 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.736 -3.471 -2.364 0.00 0.00 H+0 HETATM 57 H UNK 0 1.410 -4.308 -2.815 0.00 0.00 H+0 HETATM 58 H UNK 0 2.303 -2.206 -0.695 0.00 0.00 H+0 HETATM 59 H UNK 0 3.830 -3.835 -2.671 0.00 0.00 H+0 HETATM 60 H UNK 0 4.435 -2.183 -0.146 0.00 0.00 H+0 HETATM 61 H UNK 0 5.525 -3.163 -3.439 0.00 0.00 H+0 HETATM 62 H UNK 0 6.754 -4.116 -2.502 0.00 0.00 H+0 HETATM 63 H UNK 0 7.211 -2.507 -3.194 0.00 0.00 H+0 HETATM 64 H UNK 0 8.552 -2.289 -1.800 0.00 0.00 H+0 HETATM 65 H UNK 0 8.818 -0.254 0.357 0.00 0.00 H+0 HETATM 66 H UNK 0 9.457 -2.191 1.438 0.00 0.00 H+0 HETATM 67 H UNK 0 10.397 -2.827 0.029 0.00 0.00 H+0 HETATM 68 H UNK 0 11.013 -1.381 0.971 0.00 0.00 H+0 HETATM 69 H UNK 0 10.959 -0.791 -1.797 0.00 0.00 H+0 HETATM 70 H UNK 0 10.903 0.456 -0.543 0.00 0.00 H+0 HETATM 71 H UNK 0 9.740 0.719 -2.919 0.00 0.00 H+0 CONECT 1 2 31 32 33 CONECT 2 1 3 34 35 CONECT 3 2 4 5 36 CONECT 4 3 37 38 39 CONECT 5 3 6 40 CONECT 6 5 7 8 CONECT 7 6 41 42 43 CONECT 8 6 9 10 44 CONECT 9 8 45 CONECT 10 8 11 12 46 CONECT 11 10 47 48 49 CONECT 12 10 13 50 CONECT 13 12 14 15 CONECT 14 13 51 52 53 CONECT 15 13 16 54 CONECT 16 15 17 55 CONECT 17 16 18 56 CONECT 18 17 19 57 CONECT 19 18 20 58 CONECT 20 19 21 59 CONECT 21 20 22 60 CONECT 22 21 23 24 CONECT 23 22 61 62 63 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 64 CONECT 27 26 28 29 65 CONECT 28 27 66 67 68 CONECT 29 27 30 69 70 CONECT 30 29 71 CONECT 31 1 CONECT 32 1 CONECT 33 1 CONECT 34 2 CONECT 35 2 CONECT 36 3 CONECT 37 4 CONECT 38 4 CONECT 39 4 CONECT 40 5 CONECT 41 7 CONECT 42 7 CONECT 43 7 CONECT 44 8 CONECT 45 9 CONECT 46 10 CONECT 47 11 CONECT 48 11 CONECT 49 11 CONECT 50 12 CONECT 51 14 CONECT 52 14 CONECT 53 14 CONECT 54 15 CONECT 55 16 CONECT 56 17 CONECT 57 18 CONECT 58 19 CONECT 59 20 CONECT 60 21 CONECT 61 23 CONECT 62 23 CONECT 63 23 CONECT 64 26 CONECT 65 27 CONECT 66 28 CONECT 67 28 CONECT 68 28 CONECT 69 29 CONECT 70 29 CONECT 71 30 MASTER 0 0 0 0 0 0 0 0 71 0 140 0 END SMILES for NP0021843 (Myxalamid A)[H]OC([H])([H])[C@@]([H])(N([H])C(=O)C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])=C([H])C(=C(/[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C(=C(/[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H] INCHI for NP0021843 (Myxalamid A)InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19-,23+,24-,25-/m0/s1 3D Structure for NP0021843 (Myxalamid A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C26H41NO3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 415.6180 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 415.30864 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2E,4E,6Z,10E,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2E,4E,6Z,10E,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC[C@H](C)\C=C(/C)[C@H](O)[C@H](C)\C=C(/C)\C=C\C=C/C=C/C=C(\C)C(=O)N[C@@H](C)CO | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19-,23+,24-,25-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | GDEZZTBHSFKRJN-CCICZWJZSA-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 | NPA024872 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 4945149 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 6440913 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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