Showing NP-Card for Svetamycin A (NP0016549)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 01:29:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:23:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0016549 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Svetamycin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Svetamycin A is found in Streptomyces sp. It was first documented in 2017 (PMID: 28489377). Based on a literature review very few articles have been published on Svetamycin A. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0016549 (Svetamycin A)Mrv1652307042107213D 78 81 0 0 0 0 999 V2000 2.2572 2.7372 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 2.2355 -0.1877 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5308 2.0400 -1.2061 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.8305 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 0.7005 -2.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -0.3595 -0.7040 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6863 -0.2363 -0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6214 0.1484 -0.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -1.6587 0.4452 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0607 -1.6963 1.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -2.3821 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -2.2964 -1.7245 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -1.5827 -1.4737 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -2.0501 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -2.7558 -3.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.7977 -1.3742 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6200 -1.5267 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.5226 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 -0.4537 1.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.5281 1.4378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6709 -2.8246 2.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -3.8509 0.7611 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1961 -4.2864 0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 -2.1209 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 -1.0237 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -0.3005 2.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.6353 -0.2722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3443 -1.8521 -1.2254 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0390 -1.5775 -2.5354 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3083 -0.3246 -3.0625 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6985 0.7023 -2.1655 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.0125 0.5517 -0.8579 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 1.5383 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 1.4314 -1.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 2.6679 0.2933 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7389 2.5207 1.7562 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8732 3.9599 2.3304 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5602 4.4896 1.9997 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 4.9313 1.6909 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9763 4.9173 0.2322 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7592 3.5228 -0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 3.1684 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 3.7688 -1.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 3.7315 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 2.8933 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 1.9959 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 1.2191 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 2.9474 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.4168 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 0.4258 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -0.5949 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -2.0878 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -2.3199 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -2.9124 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 -0.8669 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -2.6319 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 -1.8353 3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -3.4474 2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -3.2859 3.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -4.6534 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -3.9553 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 -5.1630 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -2.8183 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 -0.5317 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -2.6674 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 -2.0275 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -2.3858 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 -1.3789 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 -0.5257 -3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -0.0666 -4.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7119 0.7161 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8033 3.4076 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 2.1522 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 1.9555 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 3.9575 3.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 4.8416 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 5.9534 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 5.1567 -0.1175 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 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 1 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 2 1 0 0 0 0 13 6 1 0 0 0 0 32 27 1 0 0 0 0 41 35 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 47 1 1 0 0 0 3 48 1 0 0 0 0 6 49 1 1 0 0 0 7 50 1 1 0 0 0 8 51 1 0 0 0 0 9 52 1 1 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 27 64 1 1 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 35 72 1 1 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 1 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 M END 3D MOL for NP0016549 (Svetamycin A)RDKit 3D 78 81 0 0 0 0 0 0 0 0999 V2000 2.2572 2.7372 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 2.2355 -0.1877 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5308 2.0400 -1.2061 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.8305 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 0.7005 -2.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -0.3595 -0.7040 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6863 -0.2363 -0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6214 0.1484 -0.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -1.6587 0.4452 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0607 -1.6963 1.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -2.3821 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -2.2964 -1.7245 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -1.5827 -1.4737 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -2.0501 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -2.7558 -3.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.7977 -1.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -1.5267 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.5226 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 -0.4537 1.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.5281 1.4378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6709 -2.8246 2.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -3.8509 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 -4.2864 0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 -2.1209 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 -1.0237 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -0.3005 2.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.6353 -0.2722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3443 -1.8521 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -1.5775 -2.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.3246 -3.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6985 0.7023 -2.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 0.5517 -0.8579 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 1.5383 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 1.4314 -1.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 2.6679 0.2933 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7389 2.5207 1.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 3.9599 2.3304 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5602 4.4896 1.9997 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 4.9313 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 4.9173 0.2322 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 3.5228 -0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 3.1684 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 3.7688 -1.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 3.7315 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 2.8933 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 1.9959 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 1.2191 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 2.9474 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.4168 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 0.4258 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -0.5949 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -2.0878 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -2.3199 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -2.9124 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 -0.8669 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -2.6319 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 -1.8353 3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -3.4474 2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -3.2859 3.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -4.6534 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -3.9553 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 -5.1630 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -2.8183 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 -0.5317 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -2.6674 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 -2.0275 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -2.3858 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 -1.3789 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 -0.5257 -3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -0.0666 -4.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7119 0.7161 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8033 3.4076 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 2.1522 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 1.9555 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 3.9575 3.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 4.8416 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 5.9534 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 5.1567 -0.1175 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 20 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 2 1 0 13 6 1 0 32 27 1 0 41 35 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 1 3 48 1 0 6 49 1 1 7 50 1 1 8 51 1 0 9 52 1 1 10 53 1 0 11 54 1 0 16 55 1 0 16 56 1 0 21 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 27 64 1 1 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 0 30 70 1 0 31 71 1 0 35 72 1 1 36 73 1 0 36 74 1 0 37 75 1 1 39 76 1 0 39 77 1 0 40 78 1 0 M END 3D SDF for NP0016549 (Svetamycin A)Mrv1652307042107213D 78 81 0 0 0 0 999 V2000 2.2572 2.7372 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 2.2355 -0.1877 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5308 2.0400 -1.2061 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.8305 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 0.7005 -2.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -0.3595 -0.7040 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6863 -0.2363 -0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6214 0.1484 -0.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -1.6587 0.4452 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0607 -1.6963 1.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -2.3821 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -2.2964 -1.7245 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -1.5827 -1.4737 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -2.0501 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -2.7558 -3.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.7977 -1.3742 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6200 -1.5267 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.5226 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 -0.4537 1.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.5281 1.4378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6709 -2.8246 2.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -3.8509 0.7611 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1961 -4.2864 0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 -2.1209 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 -1.0237 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -0.3005 2.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.6353 -0.2722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3443 -1.8521 -1.2254 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0390 -1.5775 -2.5354 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3083 -0.3246 -3.0625 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6985 0.7023 -2.1655 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.0125 0.5517 -0.8579 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 1.5383 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 1.4314 -1.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 2.6679 0.2933 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7389 2.5207 1.7562 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8732 3.9599 2.3304 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5602 4.4896 1.9997 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 4.9313 1.6909 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9763 4.9173 0.2322 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7592 3.5228 -0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 3.1684 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 3.7688 -1.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 3.7315 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 2.8933 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 1.9959 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 1.2191 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 2.9474 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.4168 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 0.4258 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -0.5949 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -2.0878 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -2.3199 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -2.9124 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 -0.8669 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -2.6319 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 -1.8353 3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -3.4474 2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -3.2859 3.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -4.6534 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -3.9553 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 -5.1630 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -2.8183 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 -0.5317 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -2.6674 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 -2.0275 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -2.3858 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 -1.3789 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 -0.5257 -3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -0.0666 -4.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7119 0.7161 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8033 3.4076 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 2.1522 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 1.9555 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 3.9575 3.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 4.8416 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 5.9534 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 5.1567 -0.1175 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 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 1 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 2 1 0 0 0 0 13 6 1 0 0 0 0 32 27 1 0 0 0 0 41 35 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 47 1 1 0 0 0 3 48 1 0 0 0 0 6 49 1 1 0 0 0 7 50 1 1 0 0 0 8 51 1 0 0 0 0 9 52 1 1 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 27 64 1 1 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 35 72 1 1 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 1 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > <DATABASE_ID> NP0016549 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Cl)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(N=C([H])[C@@]([H])(O[H])[C@@]2([H])O[H])C(=O)C([H])([H])OC1=O)C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C24H35ClN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38)/t11-,12-,13-,14+,15+,17-,18+,24-/m0/s1 > <INCHI_KEY> AKKGAIKLKJWDBP-WECLKIJSSA-N > <FORMULA> C24H35ClN8O10 > <MOLECULAR_WEIGHT> 631.04 > <EXACT_MASS> 630.2164671 > <JCHEM_ACCEPTOR_COUNT> 12 > <JCHEM_ATOM_COUNT> 78 > <JCHEM_AVERAGE_POLARIZABILITY> 58.66475337741273 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,5S,10S,13S,14S,15R,23S,26S)-5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone > <ALOGPS_LOGP> -1.42 > <JCHEM_LOGP> -5.206008782999997 > <ALOGPS_LOGS> -2.10 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.887019745763183 > <JCHEM_PKA_STRONGEST_ACIDIC> 10.22000067294668 > <JCHEM_PKA_STRONGEST_BASIC> 4.201340002742443 > <JCHEM_POLAR_SURFACE_AREA> 242.54 > <JCHEM_REFRACTIVITY> 164.0424 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 5.04e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,5S,10S,13S,14S,15R,23S,26S)-5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0016549 (Svetamycin A)RDKit 3D 78 81 0 0 0 0 0 0 0 0999 V2000 2.2572 2.7372 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 2.2355 -0.1877 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5308 2.0400 -1.2061 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.8305 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 0.7005 -2.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -0.3595 -0.7040 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6863 -0.2363 -0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6214 0.1484 -0.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -1.6587 0.4452 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0607 -1.6963 1.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -2.3821 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -2.2964 -1.7245 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -1.5827 -1.4737 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -2.0501 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -2.7558 -3.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.7977 -1.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -1.5267 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.5226 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 -0.4537 1.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.5281 1.4378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6709 -2.8246 2.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -3.8509 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 -4.2864 0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 -2.1209 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 -1.0237 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -0.3005 2.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.6353 -0.2722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3443 -1.8521 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -1.5775 -2.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.3246 -3.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6985 0.7023 -2.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 0.5517 -0.8579 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 1.5383 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 1.4314 -1.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 2.6679 0.2933 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7389 2.5207 1.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 3.9599 2.3304 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5602 4.4896 1.9997 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 4.9313 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 4.9173 0.2322 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 3.5228 -0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 3.1684 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 3.7688 -1.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 3.7315 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 2.8933 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 1.9959 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 1.2191 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 2.9474 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.4168 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 0.4258 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -0.5949 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -2.0878 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -2.3199 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -2.9124 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 -0.8669 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -2.6319 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 -1.8353 3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -3.4474 2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -3.2859 3.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -4.6534 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -3.9553 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 -5.1630 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -2.8183 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 -0.5317 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -2.6674 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 -2.0275 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -2.3858 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 -1.3789 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 -0.5257 -3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -0.0666 -4.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7119 0.7161 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8033 3.4076 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 2.1522 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 1.9555 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 3.9575 3.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 4.8416 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 5.9534 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 5.1567 -0.1175 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 20 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 2 1 0 13 6 1 0 32 27 1 0 41 35 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 1 3 48 1 0 6 49 1 1 7 50 1 1 8 51 1 0 9 52 1 1 10 53 1 0 11 54 1 0 16 55 1 0 16 56 1 0 21 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 27 64 1 1 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 0 30 70 1 0 31 71 1 0 35 72 1 1 36 73 1 0 36 74 1 0 37 75 1 1 39 76 1 0 39 77 1 0 40 78 1 0 M END PDB for NP0016549 (Svetamycin A)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 2.257 2.737 1.034 0.00 0.00 C+0 HETATM 2 C UNK 0 1.495 2.236 -0.188 0.00 0.00 C+0 HETATM 3 N UNK 0 2.531 2.040 -1.206 0.00 0.00 N+0 HETATM 4 C UNK 0 3.104 0.831 -1.583 0.00 0.00 C+0 HETATM 5 O UNK 0 3.489 0.701 -2.790 0.00 0.00 O+0 HETATM 6 C UNK 0 3.325 -0.360 -0.704 0.00 0.00 C+0 HETATM 7 C UNK 0 4.686 -0.236 -0.041 0.00 0.00 C+0 HETATM 8 O UNK 0 5.621 0.148 -0.983 0.00 0.00 O+0 HETATM 9 C UNK 0 5.019 -1.659 0.445 0.00 0.00 C+0 HETATM 10 O UNK 0 6.061 -1.696 1.331 0.00 0.00 O+0 HETATM 11 C UNK 0 5.335 -2.382 -0.840 0.00 0.00 C+0 HETATM 12 N UNK 0 4.406 -2.296 -1.724 0.00 0.00 N+0 HETATM 13 N UNK 0 3.220 -1.583 -1.474 0.00 0.00 N+0 HETATM 14 C UNK 0 1.974 -2.050 -1.970 0.00 0.00 C+0 HETATM 15 O UNK 0 2.072 -2.756 -3.042 0.00 0.00 O+0 HETATM 16 C UNK 0 0.642 -1.798 -1.374 0.00 0.00 C+0 HETATM 17 O UNK 0 0.620 -1.527 -0.044 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.245 -1.523 0.967 0.00 0.00 C+0 HETATM 19 O UNK 0 -0.278 -0.454 1.689 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.195 -2.528 1.438 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.671 -2.825 2.879 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.142 -3.851 0.761 0.00 0.00 C+0 HETATM 23 O UNK 0 0.196 -4.286 0.570 0.00 0.00 O+0 HETATM 24 N UNK 0 -2.551 -2.121 1.616 0.00 0.00 N+0 HETATM 25 C UNK 0 -3.281 -1.024 1.097 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.788 -0.301 2.005 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.524 -0.635 -0.272 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.344 -1.852 -1.225 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.039 -1.577 -2.535 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.308 -0.325 -3.063 0.00 0.00 C+0 HETATM 31 N UNK 0 -3.699 0.702 -2.166 0.00 0.00 N+0 HETATM 32 N UNK 0 -3.013 0.552 -0.858 0.00 0.00 N+0 HETATM 33 C UNK 0 -2.095 1.538 -0.586 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.045 1.431 -1.383 0.00 0.00 O+0 HETATM 35 C UNK 0 -1.910 2.668 0.293 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.739 2.521 1.756 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.873 3.960 2.330 0.00 0.00 C+0 HETATM 38 Cl UNK 0 -3.560 4.490 2.000 0.00 0.00 Cl+0 HETATM 39 C UNK 0 -0.949 4.931 1.691 0.00 0.00 C+0 HETATM 40 N UNK 0 -0.976 4.917 0.232 0.00 0.00 N+0 HETATM 41 N UNK 0 -0.759 3.523 -0.073 0.00 0.00 N+0 HETATM 42 C UNK 0 0.453 3.168 -0.629 0.00 0.00 C+0 HETATM 43 O UNK 0 0.725 3.769 -1.746 0.00 0.00 O+0 HETATM 44 H UNK 0 2.718 3.732 0.843 0.00 0.00 H+0 HETATM 45 H UNK 0 1.497 2.893 1.828 0.00 0.00 H+0 HETATM 46 H UNK 0 2.961 1.996 1.418 0.00 0.00 H+0 HETATM 47 H UNK 0 1.159 1.219 0.083 0.00 0.00 H+0 HETATM 48 H UNK 0 2.844 2.947 -1.677 0.00 0.00 H+0 HETATM 49 H UNK 0 2.607 -0.417 0.111 0.00 0.00 H+0 HETATM 50 H UNK 0 4.665 0.426 0.842 0.00 0.00 H+0 HETATM 51 H UNK 0 6.151 -0.595 -1.340 0.00 0.00 H+0 HETATM 52 H UNK 0 4.069 -2.088 0.803 0.00 0.00 H+0 HETATM 53 H UNK 0 5.798 -2.320 2.078 0.00 0.00 H+0 HETATM 54 H UNK 0 6.266 -2.912 -0.971 0.00 0.00 H+0 HETATM 55 H UNK 0 0.278 -0.867 -1.909 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.011 -2.632 -1.715 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.486 -1.835 3.345 0.00 0.00 H+0 HETATM 58 H UNK 0 0.223 -3.447 2.827 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.506 -3.286 3.445 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.572 -4.653 1.436 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.717 -3.955 -0.165 0.00 0.00 H+0 HETATM 62 H UNK 0 0.149 -5.163 0.149 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.076 -2.818 2.281 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.676 -0.532 -0.359 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.886 -2.667 -0.729 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.300 -2.027 -1.446 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.781 -2.386 -3.220 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.113 -1.379 -2.433 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.223 -0.526 -3.030 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.666 -0.067 -4.056 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.712 0.716 -1.966 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.803 3.408 0.226 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.752 2.152 2.097 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.517 1.956 2.286 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.730 3.958 3.406 0.00 0.00 H+0 HETATM 76 H UNK 0 0.103 4.842 2.018 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.296 5.953 1.975 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.910 5.157 -0.118 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 42 47 CONECT 3 2 4 48 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 13 49 CONECT 7 6 8 9 50 CONECT 8 7 51 CONECT 9 7 10 11 52 CONECT 10 9 53 CONECT 11 9 12 54 CONECT 12 11 13 CONECT 13 12 14 6 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 55 56 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 24 CONECT 21 20 57 58 59 CONECT 22 20 23 60 61 CONECT 23 22 62 CONECT 24 20 25 63 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 32 64 CONECT 28 27 29 65 66 CONECT 29 28 30 67 68 CONECT 30 29 31 69 70 CONECT 31 30 32 71 CONECT 32 31 33 27 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 41 72 CONECT 36 35 37 73 74 CONECT 37 36 38 39 75 CONECT 38 37 CONECT 39 37 40 76 77 CONECT 40 39 41 78 CONECT 41 40 42 35 CONECT 42 41 43 2 CONECT 43 42 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 3 CONECT 49 6 CONECT 50 7 CONECT 51 8 CONECT 52 9 CONECT 53 10 CONECT 54 11 CONECT 55 16 CONECT 56 16 CONECT 57 21 CONECT 58 21 CONECT 59 21 CONECT 60 22 CONECT 61 22 CONECT 62 23 CONECT 63 24 CONECT 64 27 CONECT 65 28 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 30 CONECT 70 30 CONECT 71 31 CONECT 72 35 CONECT 73 36 CONECT 74 36 CONECT 75 37 CONECT 76 39 CONECT 77 39 CONECT 78 40 MASTER 0 0 0 0 0 0 0 0 78 0 162 0 END SMILES for NP0016549 (Svetamycin A)[H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Cl)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(N=C([H])[C@@]([H])(O[H])[C@@]2([H])O[H])C(=O)C([H])([H])OC1=O)C([H])([H])[H])C([H])([H])[H] INCHI for NP0016549 (Svetamycin A)InChI=1S/C24H35ClN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38)/t11-,12-,13-,14+,15+,17-,18+,24-/m0/s1 3D Structure for NP0016549 (Svetamycin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C24H35ClN8O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 631.0400 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 630.21647 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,5S,10S,13S,14S,15R,23S,26S)-5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,5S,10S,13S,14S,15R,23S,26S)-5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@@H]1NC(=O)[C@@H]2[C@H](O)[C@H](O)C=NN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2CCCNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C24H35ClN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38)/t11-,12-,13-,14+,15+,17-,18+,24-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | AKKGAIKLKJWDBP-WECLKIJSSA-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 | NPA024236 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78439459 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139591392 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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