Showing NP-Card for Svetamycin C (NP0016551)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 01:30:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:23:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0016551 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Svetamycin C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Svetamycin C 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 C. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0016551 (Svetamycin C)Mrv1652307042107213D 84 87 0 0 0 0 999 V2000 3.0699 -2.1046 -1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -1.5736 -0.8625 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0357 -1.4846 0.5295 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -0.5576 1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 0.1467 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.3101 0.7185 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1369 0.3164 1.8699 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8856 1.6867 1.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 0.1067 1.4896 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4185 1.0445 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 0.1606 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 0.3703 -0.8583 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 0.5627 -0.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 1.4936 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 1.3814 -2.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 2.5871 -0.4885 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0506 2.9914 -1.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 3.7675 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 4.9544 -1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 3.2007 -0.9204 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4699 3.8081 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 3.7695 0.5040 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4310 3.3617 1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 1.7610 -0.9535 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 0.7930 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 0.1973 -2.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 0.3254 -0.9779 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5566 1.3866 -0.9573 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8249 0.7362 -0.4137 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6131 0.3105 1.0265 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3486 -0.9794 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 1.3272 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 0.3157 1.3241 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.4410 -0.2908 0.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 -1.4186 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -1.2132 1.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -2.7182 0.0934 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7868 -3.1205 -0.7135 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7386 -4.6531 -0.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8215 -5.3711 0.8274 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 -5.0068 -1.4797 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2881 -4.5460 -0.7728 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.3613 -3.0876 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -2.4164 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -2.5128 -2.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -2.8343 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -1.3398 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -2.7233 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -0.5804 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -2.1690 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -1.2992 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -0.1331 2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 2.0592 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -0.8947 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 1.6508 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8840 0.0084 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 3.4265 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 2.3633 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 4.6791 -2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 3.0492 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 4.1921 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 4.8824 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 3.6151 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 4.0978 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 1.4161 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 -0.4399 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 1.6476 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3656 2.2245 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -0.0872 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.5232 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -1.7463 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3113 -0.8698 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 -1.4570 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1876 1.7701 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 2.1035 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6866 0.7943 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 1.1752 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -3.5009 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -2.8038 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -2.7596 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -4.9579 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.6060 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -6.0918 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -4.8828 0.1948 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 6 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 6 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 2 1 0 0 0 0 13 6 1 0 0 0 0 34 27 1 0 0 0 0 43 37 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 6 0 0 0 3 50 1 0 0 0 0 6 51 1 6 0 0 0 7 52 1 1 0 0 0 8 53 1 0 0 0 0 9 54 1 1 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 27 66 1 6 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 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 37 78 1 1 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 6 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 M END 3D MOL for NP0016551 (Svetamycin C)RDKit 3D 84 87 0 0 0 0 0 0 0 0999 V2000 3.0699 -2.1046 -1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -1.5736 -0.8625 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0357 -1.4846 0.5295 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -0.5576 1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 0.1467 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.3101 0.7185 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1369 0.3164 1.8699 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8856 1.6867 1.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 0.1067 1.4896 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4185 1.0445 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 0.1606 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 0.3703 -0.8583 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 0.5627 -0.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 1.4936 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 1.3814 -2.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 2.5871 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 2.9914 -1.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 3.7675 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 4.9544 -1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 3.2007 -0.9204 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4699 3.8081 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 3.7695 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 3.3617 1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 1.7610 -0.9535 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 0.7930 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 0.1973 -2.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 0.3254 -0.9779 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5566 1.3866 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8249 0.7362 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 0.3105 1.0265 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3486 -0.9794 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 1.3272 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 0.3157 1.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -0.2908 0.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 -1.4186 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -1.2132 1.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -2.7182 0.0934 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7868 -3.1205 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 -4.6531 -0.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8215 -5.3711 0.8274 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 -5.0068 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 -4.5460 -0.7728 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -3.0876 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -2.4164 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -2.5128 -2.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -2.8343 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -1.3398 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -2.7233 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -0.5804 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -2.1690 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -1.2992 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -0.1331 2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 2.0592 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -0.8947 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 1.6508 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8840 0.0084 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 3.4265 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 2.3633 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 4.6791 -2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 3.0492 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 4.1921 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 4.8824 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 3.6151 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 4.0978 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 1.4161 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 -0.4399 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 1.6476 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3656 2.2245 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -0.0872 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.5232 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -1.7463 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3113 -0.8698 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 -1.4570 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1876 1.7701 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 2.1035 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6866 0.7943 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 1.1752 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -3.5009 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -2.8038 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -2.7596 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -4.9579 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.6060 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -6.0918 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -4.8828 0.1948 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 6 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 6 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 2 1 0 13 6 1 0 34 27 1 0 43 37 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 6 3 50 1 0 6 51 1 6 7 52 1 1 8 53 1 0 9 54 1 1 10 55 1 0 11 56 1 0 16 57 1 0 16 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 24 65 1 0 27 66 1 6 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 31 71 1 0 31 72 1 0 31 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 33 77 1 0 37 78 1 1 38 79 1 0 38 80 1 0 39 81 1 6 41 82 1 0 41 83 1 0 42 84 1 0 M END 3D SDF for NP0016551 (Svetamycin C)Mrv1652307042107213D 84 87 0 0 0 0 999 V2000 3.0699 -2.1046 -1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -1.5736 -0.8625 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0357 -1.4846 0.5295 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -0.5576 1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 0.1467 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.3101 0.7185 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1369 0.3164 1.8699 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8856 1.6867 1.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 0.1067 1.4896 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4185 1.0445 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 0.1606 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 0.3703 -0.8583 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 0.5627 -0.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 1.4936 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 1.3814 -2.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 2.5871 -0.4885 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0506 2.9914 -1.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 3.7675 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 4.9544 -1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 3.2007 -0.9204 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4699 3.8081 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 3.7695 0.5040 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4310 3.3617 1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 1.7610 -0.9535 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 0.7930 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 0.1973 -2.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 0.3254 -0.9779 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5566 1.3866 -0.9573 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8249 0.7362 -0.4137 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6131 0.3105 1.0265 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3486 -0.9794 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 1.3272 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 0.3157 1.3241 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.4410 -0.2908 0.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 -1.4186 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -1.2132 1.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -2.7182 0.0934 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7868 -3.1205 -0.7135 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7386 -4.6531 -0.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8215 -5.3711 0.8274 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 -5.0068 -1.4797 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2881 -4.5460 -0.7728 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.3613 -3.0876 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -2.4164 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -2.5128 -2.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -2.8343 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -1.3398 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -2.7233 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -0.5804 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -2.1690 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -1.2992 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -0.1331 2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 2.0592 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -0.8947 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 1.6508 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8840 0.0084 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 3.4265 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 2.3633 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 4.6791 -2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 3.0492 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 4.1921 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 4.8824 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 3.6151 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 4.0978 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 1.4161 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 -0.4399 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 1.6476 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3656 2.2245 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -0.0872 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.5232 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -1.7463 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3113 -0.8698 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 -1.4570 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1876 1.7701 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 2.1035 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6866 0.7943 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 1.1752 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -3.5009 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -2.8038 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -2.7596 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -4.9579 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.6060 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -6.0918 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -4.8828 0.1948 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 6 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 6 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 2 1 0 0 0 0 13 6 1 0 0 0 0 34 27 1 0 0 0 0 43 37 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 6 0 0 0 3 50 1 0 0 0 0 6 51 1 6 0 0 0 7 52 1 1 0 0 0 8 53 1 0 0 0 0 9 54 1 1 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 27 66 1 6 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 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 37 78 1 1 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 6 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 M END > <DATABASE_ID> NP0016551 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C(C([H])([H])[H])(C([H])([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/C26H39ClN8O10/c1-12-22(42)33-15(7-13(27)8-28-33)23(43)34-14(5-6-25(2,3)32-34)20(40)31-26(4,11-36)24(44)45-10-17(38)35-18(21(41)30-12)19(39)16(37)9-29-35/h9,12-16,18-19,28,32,36-37,39H,5-8,10-11H2,1-4H3,(H,30,41)(H,31,40)/t12-,13-,14-,15+,16+,18-,19+,26-/m0/s1 > <INCHI_KEY> KBWDESYXICMIBW-WIBSRNQJSA-N > <FORMULA> C26H39ClN8O10 > <MOLECULAR_WEIGHT> 659.09 > <EXACT_MASS> 658.2477672 > <JCHEM_ACCEPTOR_COUNT> 12 > <JCHEM_ATOM_COUNT> 84 > <JCHEM_AVERAGE_POLARIZABILITY> 62.746318751390405 > <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)-10,23,29,29-tetramethyl-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> -1.04 > <JCHEM_LOGP> -4.508857089999999 > <ALOGPS_LOGS> -2.26 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.954417013215949 > <JCHEM_PKA_STRONGEST_ACIDIC> 10.28916734449898 > <JCHEM_PKA_STRONGEST_BASIC> 4.408362276918413 > <JCHEM_POLAR_SURFACE_AREA> 242.54 > <JCHEM_REFRACTIVITY> 173.0994 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 3.61e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,5S,10S,13S,14S,15R,23S,26S)-5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-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 NP0016551 (Svetamycin C)RDKit 3D 84 87 0 0 0 0 0 0 0 0999 V2000 3.0699 -2.1046 -1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -1.5736 -0.8625 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0357 -1.4846 0.5295 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -0.5576 1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 0.1467 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.3101 0.7185 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1369 0.3164 1.8699 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8856 1.6867 1.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 0.1067 1.4896 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4185 1.0445 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 0.1606 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 0.3703 -0.8583 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 0.5627 -0.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 1.4936 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 1.3814 -2.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 2.5871 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 2.9914 -1.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 3.7675 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 4.9544 -1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 3.2007 -0.9204 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4699 3.8081 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 3.7695 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 3.3617 1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 1.7610 -0.9535 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 0.7930 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 0.1973 -2.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 0.3254 -0.9779 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5566 1.3866 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8249 0.7362 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 0.3105 1.0265 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3486 -0.9794 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 1.3272 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 0.3157 1.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -0.2908 0.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 -1.4186 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -1.2132 1.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -2.7182 0.0934 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7868 -3.1205 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 -4.6531 -0.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8215 -5.3711 0.8274 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 -5.0068 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 -4.5460 -0.7728 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -3.0876 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -2.4164 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -2.5128 -2.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -2.8343 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -1.3398 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -2.7233 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -0.5804 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -2.1690 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -1.2992 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -0.1331 2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 2.0592 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -0.8947 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 1.6508 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8840 0.0084 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 3.4265 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 2.3633 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 4.6791 -2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 3.0492 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 4.1921 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 4.8824 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 3.6151 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 4.0978 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 1.4161 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 -0.4399 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 1.6476 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3656 2.2245 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -0.0872 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.5232 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -1.7463 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3113 -0.8698 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 -1.4570 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1876 1.7701 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 2.1035 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6866 0.7943 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 1.1752 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -3.5009 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -2.8038 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -2.7596 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -4.9579 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.6060 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -6.0918 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -4.8828 0.1948 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 6 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 6 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 2 1 0 13 6 1 0 34 27 1 0 43 37 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 6 3 50 1 0 6 51 1 6 7 52 1 1 8 53 1 0 9 54 1 1 10 55 1 0 11 56 1 0 16 57 1 0 16 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 24 65 1 0 27 66 1 6 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 31 71 1 0 31 72 1 0 31 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 33 77 1 0 37 78 1 1 38 79 1 0 38 80 1 0 39 81 1 6 41 82 1 0 41 83 1 0 42 84 1 0 M END PDB for NP0016551 (Svetamycin C)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 3.070 -2.105 -1.562 0.00 0.00 C+0 HETATM 2 C UNK 0 1.792 -1.574 -0.863 0.00 0.00 C+0 HETATM 3 N UNK 0 2.036 -1.485 0.530 0.00 0.00 N+0 HETATM 4 C UNK 0 2.945 -0.558 1.095 0.00 0.00 C+0 HETATM 5 O UNK 0 2.478 0.147 2.068 0.00 0.00 O+0 HETATM 6 C UNK 0 4.324 -0.310 0.719 0.00 0.00 C+0 HETATM 7 C UNK 0 5.137 0.316 1.870 0.00 0.00 C+0 HETATM 8 O UNK 0 4.886 1.687 1.816 0.00 0.00 O+0 HETATM 9 C UNK 0 6.582 0.107 1.490 0.00 0.00 C+0 HETATM 10 O UNK 0 7.418 1.044 2.096 0.00 0.00 O+0 HETATM 11 C UNK 0 6.842 0.161 0.040 0.00 0.00 C+0 HETATM 12 N UNK 0 5.949 0.370 -0.858 0.00 0.00 N+0 HETATM 13 N UNK 0 4.603 0.563 -0.388 0.00 0.00 N+0 HETATM 14 C UNK 0 3.793 1.494 -1.032 0.00 0.00 C+0 HETATM 15 O UNK 0 3.772 1.381 -2.316 0.00 0.00 O+0 HETATM 16 C UNK 0 2.957 2.587 -0.489 0.00 0.00 C+0 HETATM 17 O UNK 0 2.051 2.991 -1.457 0.00 0.00 O+0 HETATM 18 C UNK 0 0.952 3.768 -1.457 0.00 0.00 C+0 HETATM 19 O UNK 0 0.817 4.954 -1.847 0.00 0.00 O+0 HETATM 20 C UNK 0 -0.365 3.201 -0.920 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.470 3.808 -1.735 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.377 3.769 0.504 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.431 3.362 1.262 0.00 0.00 O+0 HETATM 24 N UNK 0 -0.302 1.761 -0.954 0.00 0.00 N+0 HETATM 25 C UNK 0 -1.175 0.793 -1.453 0.00 0.00 C+0 HETATM 26 O UNK 0 -0.762 0.197 -2.525 0.00 0.00 O+0 HETATM 27 C UNK 0 -2.479 0.325 -0.978 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.557 1.387 -0.957 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.825 0.736 -0.414 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.613 0.311 1.026 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.349 -0.979 1.234 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.321 1.327 1.961 0.00 0.00 C+0 HETATM 33 N UNK 0 -3.240 0.316 1.324 0.00 0.00 N+0 HETATM 34 N UNK 0 -2.441 -0.291 0.360 0.00 0.00 N+0 HETATM 35 C UNK 0 -1.645 -1.419 0.700 0.00 0.00 C+0 HETATM 36 O UNK 0 -0.911 -1.213 1.747 0.00 0.00 O+0 HETATM 37 C UNK 0 -1.525 -2.718 0.093 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.787 -3.120 -0.714 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.739 -4.653 -0.779 0.00 0.00 C+0 HETATM 40 Cl UNK 0 -2.821 -5.371 0.827 0.00 0.00 Cl+0 HETATM 41 C UNK 0 -1.452 -5.007 -1.480 0.00 0.00 C+0 HETATM 42 N UNK 0 -0.288 -4.546 -0.773 0.00 0.00 N+0 HETATM 43 N UNK 0 -0.361 -3.088 -0.649 0.00 0.00 N+0 HETATM 44 C UNK 0 0.660 -2.416 -1.287 0.00 0.00 C+0 HETATM 45 O UNK 0 0.690 -2.513 -2.594 0.00 0.00 O+0 HETATM 46 H UNK 0 2.694 -2.834 -2.339 0.00 0.00 H+0 HETATM 47 H UNK 0 3.589 -1.340 -2.127 0.00 0.00 H+0 HETATM 48 H UNK 0 3.667 -2.723 -0.881 0.00 0.00 H+0 HETATM 49 H UNK 0 1.619 -0.580 -1.359 0.00 0.00 H+0 HETATM 50 H UNK 0 1.509 -2.169 1.175 0.00 0.00 H+0 HETATM 51 H UNK 0 4.891 -1.299 0.582 0.00 0.00 H+0 HETATM 52 H UNK 0 4.876 -0.133 2.826 0.00 0.00 H+0 HETATM 53 H UNK 0 5.444 2.059 1.091 0.00 0.00 H+0 HETATM 54 H UNK 0 6.915 -0.895 1.842 0.00 0.00 H+0 HETATM 55 H UNK 0 6.955 1.651 2.697 0.00 0.00 H+0 HETATM 56 H UNK 0 7.884 0.008 -0.293 0.00 0.00 H+0 HETATM 57 H UNK 0 3.692 3.426 -0.230 0.00 0.00 H+0 HETATM 58 H UNK 0 2.530 2.363 0.514 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.089 4.679 -2.343 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.765 3.049 -2.510 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.310 4.192 -1.155 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.501 4.882 0.342 0.00 0.00 H+0 HETATM 63 H UNK 0 0.567 3.615 1.030 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.723 4.098 1.857 0.00 0.00 H+0 HETATM 65 H UNK 0 0.626 1.416 -0.508 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.875 -0.440 -1.715 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.782 1.648 -2.008 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.366 2.224 -0.288 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.188 -0.087 -1.060 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.603 1.523 -0.415 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.753 -1.746 1.771 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.311 -0.870 1.774 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.628 -1.457 0.249 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.188 1.770 1.438 0.00 0.00 H+0 HETATM 75 H UNK 0 -4.616 2.103 2.272 0.00 0.00 H+0 HETATM 76 H UNK 0 -5.687 0.794 2.862 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.915 1.175 1.734 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.599 -3.501 0.945 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.650 -2.804 -1.761 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.663 -2.760 -0.200 0.00 0.00 H+0 HETATM 81 H UNK 0 -3.574 -4.958 -1.443 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.474 -4.606 -2.511 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.394 -6.092 -1.549 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.325 -4.883 0.195 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 44 49 CONECT 3 2 4 50 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 13 51 CONECT 7 6 8 9 52 CONECT 8 7 53 CONECT 9 7 10 11 54 CONECT 10 9 55 CONECT 11 9 12 56 CONECT 12 11 13 CONECT 13 12 14 6 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 57 58 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 24 CONECT 21 20 59 60 61 CONECT 22 20 23 62 63 CONECT 23 22 64 CONECT 24 20 25 65 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 34 66 CONECT 28 27 29 67 68 CONECT 29 28 30 69 70 CONECT 30 29 31 32 33 CONECT 31 30 71 72 73 CONECT 32 30 74 75 76 CONECT 33 30 34 77 CONECT 34 33 35 27 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 43 78 CONECT 38 37 39 79 80 CONECT 39 38 40 41 81 CONECT 40 39 CONECT 41 39 42 82 83 CONECT 42 41 43 84 CONECT 43 42 44 37 CONECT 44 43 45 2 CONECT 45 44 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 2 CONECT 50 3 CONECT 51 6 CONECT 52 7 CONECT 53 8 CONECT 54 9 CONECT 55 10 CONECT 56 11 CONECT 57 16 CONECT 58 16 CONECT 59 21 CONECT 60 21 CONECT 61 21 CONECT 62 22 CONECT 63 22 CONECT 64 23 CONECT 65 24 CONECT 66 27 CONECT 67 28 CONECT 68 28 CONECT 69 29 CONECT 70 29 CONECT 71 31 CONECT 72 31 CONECT 73 31 CONECT 74 32 CONECT 75 32 CONECT 76 32 CONECT 77 33 CONECT 78 37 CONECT 79 38 CONECT 80 38 CONECT 81 39 CONECT 82 41 CONECT 83 41 CONECT 84 42 MASTER 0 0 0 0 0 0 0 0 84 0 174 0 END SMILES for NP0016551 (Svetamycin C)[H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C(C([H])([H])[H])(C([H])([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 NP0016551 (Svetamycin C)InChI=1S/C26H39ClN8O10/c1-12-22(42)33-15(7-13(27)8-28-33)23(43)34-14(5-6-25(2,3)32-34)20(40)31-26(4,11-36)24(44)45-10-17(38)35-18(21(41)30-12)19(39)16(37)9-29-35/h9,12-16,18-19,28,32,36-37,39H,5-8,10-11H2,1-4H3,(H,30,41)(H,31,40)/t12-,13-,14-,15+,16+,18-,19+,26-/m0/s1 3D Structure for NP0016551 (Svetamycin C) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C26H39ClN8O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 659.0900 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 658.24777 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,5S,10S,13S,14S,15R,23S,26S)-5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-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)-10,23,29,29-tetramethyl-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]2CCC(C)(C)NN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C26H39ClN8O10/c1-12-22(42)33-15(7-13(27)8-28-33)23(43)34-14(5-6-25(2,3)32-34)20(40)31-26(4,11-36)24(44)45-10-17(38)35-18(21(41)30-12)19(39)16(37)9-29-35/h9,12-16,18-19,28,32,36-37,39H,5-8,10-11H2,1-4H3,(H,30,41)(H,31,40)/t12-,13-,14-,15+,16+,18-,19+,26-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | KBWDESYXICMIBW-WIBSRNQJSA-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 | NPA024238 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78439461 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139591394 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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