Showing NP-Card for Pamamycin 621A (NP0022207)
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 07:25:40 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:38:25 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0022207 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Pamamycin 621A | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Pamamycin 621A is found in Streptomyces and Streptomyces alboniger. It was first documented in 1995 (PMID: 7490225). Based on a literature review a small amount of articles have been published on Pamamycin 621A (PMID: 20597495) (PMID: 19924871) (PMID: 16145703) (PMID: 15317744). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0022207 (Pamamycin 621A)Mrv1652307042108043D 107110 0 0 0 0 999 V2000 9.0078 1.4045 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.3888 -0.2834 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9998 0.0244 0.0278 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5193 -0.1417 -0.2865 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3065 0.0934 -1.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 -0.6593 -2.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1281 -0.9224 -3.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -1.3007 -3.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6263 -0.8438 -4.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.7795 -2.3397 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4347 0.6545 -2.6115 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1071 0.7461 -1.8892 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0088 -0.6349 -1.2965 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5739 -1.3945 -2.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 -1.0543 -0.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8239 -1.9541 -2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -1.5872 0.4072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5952 -2.3837 0.8006 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8435 -3.6449 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.6654 0.9562 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9800 -0.6055 1.9918 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3477 0.0018 1.5941 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5212 -0.5313 0.2112 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2340 0.3969 -0.7310 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6112 0.5991 -0.1534 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5113 1.5010 -0.9231 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9886 2.9253 -1.0260 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8522 3.5279 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2287 -0.6601 0.1850 N 0 0 1 0 0 0 0 0 0 0 0 0 -7.8893 -0.6142 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0032 -1.2606 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 -0.9217 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 -0.5844 1.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -0.2674 2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -0.7371 3.5481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 0.8439 2.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9452 2.0135 3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 0.4549 2.8675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2947 -0.9365 2.6052 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8154 -0.7704 2.5693 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9492 0.6300 2.0692 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8720 1.3188 2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 0.7201 0.5821 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5268 2.1443 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 2.4862 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 1.1542 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 0.8056 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 2.1998 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 1.6138 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -0.2202 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 -0.6960 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -1.2114 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -2.3913 -3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 0.2155 -4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -1.4083 -5.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.9198 -4.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -0.9635 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.3855 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 0.7157 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 0.9698 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 1.4962 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -0.7152 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.1368 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 -1.8505 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -1.5514 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 -2.9865 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -2.3698 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 -2.7503 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 -4.2548 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -4.3244 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -3.5528 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 -2.4018 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 0.2106 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 -0.9991 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0972 -0.3091 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.0997 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -1.4612 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -0.1237 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 1.3568 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3927 1.0650 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6865 1.1448 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4727 1.5548 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 2.8691 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6999 3.5593 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6014 3.0617 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8277 3.4878 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1583 4.5901 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6297 0.3152 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0123 -0.5689 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6923 -1.4783 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7489 -2.3586 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -0.8704 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0825 -1.2063 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.2178 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 2.9289 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 2.2176 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.6666 4.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.5101 3.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -1.3469 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -1.6465 3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 -0.7857 3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -1.5460 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 1.0767 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 0.2848 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 2.4468 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 2.3634 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 2.8020 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 23 32 1 0 0 0 0 17 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 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 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 4 1 0 0 0 0 14 10 1 0 0 0 0 32 20 1 0 0 0 0 42 38 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 52 1 6 0 0 0 8 53 1 6 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 57 1 1 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 60 1 0 0 0 0 12 61 1 0 0 0 0 13 62 1 1 0 0 0 15 63 1 1 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 67 1 6 0 0 0 18 68 1 1 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 72 1 1 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 77 1 1 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 80 1 1 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 36 94 1 6 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 38 98 1 1 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 40101 1 0 0 0 0 40102 1 0 0 0 0 41103 1 6 0 0 0 43104 1 1 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 M END 3D MOL for NP0022207 (Pamamycin 621A)RDKit 3D 107110 0 0 0 0 0 0 0 0999 V2000 9.0078 1.4045 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.3888 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9998 0.0244 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 -0.1417 -0.2865 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3065 0.0934 -1.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 -0.6593 -2.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1281 -0.9224 -3.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -1.3007 -3.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6263 -0.8438 -4.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.7795 -2.3397 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4347 0.6545 -2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 0.7461 -1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 -0.6349 -1.2965 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5739 -1.3945 -2.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 -1.0543 -0.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8239 -1.9541 -2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -1.5872 0.4072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5952 -2.3837 0.8006 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8435 -3.6449 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.6654 0.9562 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9800 -0.6055 1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 0.0018 1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5212 -0.5313 0.2112 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2340 0.3969 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6112 0.5991 -0.1534 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5113 1.5010 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9886 2.9253 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 3.5279 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2287 -0.6601 0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8893 -0.6142 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0032 -1.2606 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 -0.9217 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 -0.5844 1.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -0.2674 2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -0.7371 3.5481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 0.8439 2.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9452 2.0135 3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 0.4549 2.8675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2947 -0.9365 2.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 -0.7704 2.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 0.6300 2.0692 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8720 1.3188 2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 0.7201 0.5821 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5268 2.1443 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 2.4862 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 1.1542 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 0.8056 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 2.1998 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 1.6138 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -0.2202 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 -0.6960 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -1.2114 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -2.3913 -3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 0.2155 -4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -1.4083 -5.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.9198 -4.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -0.9635 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.3855 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 0.7157 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 0.9698 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 1.4962 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -0.7152 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.1368 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 -1.8505 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -1.5514 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 -2.9865 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -2.3698 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 -2.7503 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 -4.2548 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -4.3244 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -3.5528 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 -2.4018 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 0.2106 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 -0.9991 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0972 -0.3091 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.0997 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -1.4612 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -0.1237 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 1.3568 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3927 1.0650 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6865 1.1448 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4727 1.5548 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 2.8691 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6999 3.5593 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6014 3.0617 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8277 3.4878 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1583 4.5901 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6297 0.3152 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0123 -0.5689 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6923 -1.4783 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7489 -2.3586 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -0.8704 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0825 -1.2063 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.2178 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 2.9289 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 2.2176 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.6666 4.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.5101 3.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -1.3469 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -1.6465 3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 -0.7857 3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -1.5460 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 1.0767 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 0.2848 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 2.4468 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 2.3634 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 2.8020 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 25 29 1 0 29 30 1 0 29 31 1 0 23 32 1 0 17 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 4 1 0 14 10 1 0 32 20 1 0 42 38 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 6 8 53 1 6 9 54 1 0 9 55 1 0 9 56 1 0 10 57 1 1 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 1 15 63 1 1 16 64 1 0 16 65 1 0 16 66 1 0 17 67 1 6 18 68 1 1 19 69 1 0 19 70 1 0 19 71 1 0 20 72 1 1 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 1 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 30 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 31 93 1 0 36 94 1 6 37 95 1 0 37 96 1 0 37 97 1 0 38 98 1 1 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 6 43104 1 1 44105 1 0 44106 1 0 44107 1 0 M END 3D SDF for NP0022207 (Pamamycin 621A)Mrv1652307042108043D 107110 0 0 0 0 999 V2000 9.0078 1.4045 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.3888 -0.2834 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9998 0.0244 0.0278 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5193 -0.1417 -0.2865 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3065 0.0934 -1.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 -0.6593 -2.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1281 -0.9224 -3.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -1.3007 -3.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6263 -0.8438 -4.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.7795 -2.3397 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4347 0.6545 -2.6115 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1071 0.7461 -1.8892 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0088 -0.6349 -1.2965 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5739 -1.3945 -2.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 -1.0543 -0.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8239 -1.9541 -2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -1.5872 0.4072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5952 -2.3837 0.8006 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8435 -3.6449 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.6654 0.9562 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9800 -0.6055 1.9918 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3477 0.0018 1.5941 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5212 -0.5313 0.2112 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2340 0.3969 -0.7310 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6112 0.5991 -0.1534 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5113 1.5010 -0.9231 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9886 2.9253 -1.0260 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8522 3.5279 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2287 -0.6601 0.1850 N 0 0 1 0 0 0 0 0 0 0 0 0 -7.8893 -0.6142 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0032 -1.2606 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 -0.9217 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 -0.5844 1.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -0.2674 2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -0.7371 3.5481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 0.8439 2.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9452 2.0135 3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 0.4549 2.8675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2947 -0.9365 2.6052 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8154 -0.7704 2.5693 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9492 0.6300 2.0692 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8720 1.3188 2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 0.7201 0.5821 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5268 2.1443 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 2.4862 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 1.1542 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 0.8056 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 2.1998 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 1.6138 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -0.2202 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 -0.6960 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -1.2114 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -2.3913 -3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 0.2155 -4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -1.4083 -5.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.9198 -4.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -0.9635 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.3855 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 0.7157 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 0.9698 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 1.4962 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -0.7152 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.1368 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 -1.8505 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -1.5514 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 -2.9865 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -2.3698 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 -2.7503 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 -4.2548 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -4.3244 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -3.5528 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 -2.4018 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 0.2106 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 -0.9991 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0972 -0.3091 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.0997 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -1.4612 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -0.1237 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 1.3568 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3927 1.0650 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6865 1.1448 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4727 1.5548 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 2.8691 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6999 3.5593 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6014 3.0617 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8277 3.4878 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1583 4.5901 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6297 0.3152 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0123 -0.5689 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6923 -1.4783 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7489 -2.3586 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -0.8704 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0825 -1.2063 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.2178 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 2.9289 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 2.2176 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.6666 4.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.5101 3.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -1.3469 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -1.6465 3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 -0.7857 3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -1.5460 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 1.0767 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 0.2848 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 2.4468 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 2.3634 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 2.8020 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 23 32 1 0 0 0 0 17 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 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 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 4 1 0 0 0 0 14 10 1 0 0 0 0 32 20 1 0 0 0 0 42 38 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 52 1 6 0 0 0 8 53 1 6 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 57 1 1 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 60 1 0 0 0 0 12 61 1 0 0 0 0 13 62 1 1 0 0 0 15 63 1 1 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 67 1 6 0 0 0 18 68 1 1 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 72 1 1 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 77 1 1 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 80 1 1 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 36 94 1 6 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 38 98 1 1 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 40101 1 0 0 0 0 40102 1 0 0 0 0 41103 1 6 0 0 0 43104 1 1 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 M END > <DATABASE_ID> NP0022207 > <DATABASE_NAME> NP-MRD > <SMILES> [H]C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])[C@]1([H])OC(=O)[C@@]([H])(C([H])([H])[H])[C@]2([H])O[C@@]([H])(C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])[C@]2([H])O[C@@]([H])(C([H])([H])C2([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-/m0/s1 > <INCHI_KEY> MMFMMXXZYTWNGM-ZZSWZHNPSA-N > <FORMULA> C36H63NO7 > <MOLECULAR_WEIGHT> 621.9 > <EXACT_MASS> 621.460453373 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 107 > <JCHEM_AVERAGE_POLARIZABILITY> 73.15521189501081 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione > <ALOGPS_LOGP> 5.92 > <JCHEM_LOGP> 6.766374448666667 > <ALOGPS_LOGS> -6.09 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 1 > <JCHEM_PKA_STRONGEST_BASIC> 10.00091040414133 > <JCHEM_POLAR_SURFACE_AREA> 83.53000000000002 > <JCHEM_REFRACTIVITY> 171.5176 > <JCHEM_ROTATABLE_BOND_COUNT> 9 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 5.04e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0022207 (Pamamycin 621A)RDKit 3D 107110 0 0 0 0 0 0 0 0999 V2000 9.0078 1.4045 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.3888 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9998 0.0244 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 -0.1417 -0.2865 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3065 0.0934 -1.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 -0.6593 -2.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1281 -0.9224 -3.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -1.3007 -3.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6263 -0.8438 -4.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.7795 -2.3397 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4347 0.6545 -2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 0.7461 -1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 -0.6349 -1.2965 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5739 -1.3945 -2.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 -1.0543 -0.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8239 -1.9541 -2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -1.5872 0.4072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5952 -2.3837 0.8006 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8435 -3.6449 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.6654 0.9562 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9800 -0.6055 1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 0.0018 1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5212 -0.5313 0.2112 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2340 0.3969 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6112 0.5991 -0.1534 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5113 1.5010 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9886 2.9253 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 3.5279 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2287 -0.6601 0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8893 -0.6142 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0032 -1.2606 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 -0.9217 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 -0.5844 1.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -0.2674 2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -0.7371 3.5481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 0.8439 2.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9452 2.0135 3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 0.4549 2.8675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2947 -0.9365 2.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 -0.7704 2.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 0.6300 2.0692 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8720 1.3188 2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 0.7201 0.5821 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5268 2.1443 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 2.4862 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 1.1542 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 0.8056 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 2.1998 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 1.6138 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -0.2202 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 -0.6960 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -1.2114 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -2.3913 -3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 0.2155 -4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -1.4083 -5.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.9198 -4.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -0.9635 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.3855 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 0.7157 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 0.9698 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 1.4962 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -0.7152 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.1368 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 -1.8505 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -1.5514 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 -2.9865 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -2.3698 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 -2.7503 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 -4.2548 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -4.3244 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -3.5528 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 -2.4018 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 0.2106 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 -0.9991 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0972 -0.3091 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.0997 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -1.4612 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -0.1237 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 1.3568 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3927 1.0650 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6865 1.1448 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4727 1.5548 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 2.8691 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6999 3.5593 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6014 3.0617 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8277 3.4878 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1583 4.5901 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6297 0.3152 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0123 -0.5689 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6923 -1.4783 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7489 -2.3586 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -0.8704 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0825 -1.2063 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.2178 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 2.9289 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 2.2176 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.6666 4.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.5101 3.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -1.3469 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -1.6465 3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 -0.7857 3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -1.5460 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 1.0767 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 0.2848 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 2.4468 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 2.3634 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 2.8020 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 25 29 1 0 29 30 1 0 29 31 1 0 23 32 1 0 17 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 4 1 0 14 10 1 0 32 20 1 0 42 38 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 6 8 53 1 6 9 54 1 0 9 55 1 0 9 56 1 0 10 57 1 1 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 1 15 63 1 1 16 64 1 0 16 65 1 0 16 66 1 0 17 67 1 6 18 68 1 1 19 69 1 0 19 70 1 0 19 71 1 0 20 72 1 1 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 1 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 30 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 31 93 1 0 36 94 1 6 37 95 1 0 37 96 1 0 37 97 1 0 38 98 1 1 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 6 43104 1 1 44105 1 0 44106 1 0 44107 1 0 M END PDB for NP0022207 (Pamamycin 621A)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 9.008 1.405 0.071 0.00 0.00 C+0 HETATM 2 C UNK 0 7.521 1.389 -0.283 0.00 0.00 C+0 HETATM 3 C UNK 0 7.000 0.024 0.028 0.00 0.00 C+0 HETATM 4 C UNK 0 5.519 -0.142 -0.287 0.00 0.00 C+0 HETATM 5 O UNK 0 5.306 0.093 -1.632 0.00 0.00 O+0 HETATM 6 C UNK 0 5.166 -0.659 -2.736 0.00 0.00 C+0 HETATM 7 O UNK 0 6.128 -0.922 -3.524 0.00 0.00 O+0 HETATM 8 C UNK 0 3.876 -1.301 -3.214 0.00 0.00 C+0 HETATM 9 C UNK 0 3.626 -0.844 -4.649 0.00 0.00 C+0 HETATM 10 C UNK 0 2.822 -0.780 -2.340 0.00 0.00 C+0 HETATM 11 C UNK 0 2.435 0.655 -2.611 0.00 0.00 C+0 HETATM 12 C UNK 0 1.107 0.746 -1.889 0.00 0.00 C+0 HETATM 13 C UNK 0 1.009 -0.635 -1.297 0.00 0.00 C+0 HETATM 14 O UNK 0 1.574 -1.395 -2.368 0.00 0.00 O+0 HETATM 15 C UNK 0 -0.394 -1.054 -0.989 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.824 -1.954 -2.086 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.397 -1.587 0.407 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.595 -2.384 0.801 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.843 -3.645 0.018 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.881 -1.665 0.956 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.980 -0.606 1.992 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.348 0.002 1.594 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.521 -0.531 0.211 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.234 0.397 -0.731 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.611 0.599 -0.153 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.511 1.501 -0.923 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.989 2.925 -1.026 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.852 3.528 0.372 0.00 0.00 C+0 HETATM 29 N UNK 0 -7.229 -0.660 0.185 0.00 0.00 N+0 HETATM 30 C UNK 0 -7.889 -0.614 1.462 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.003 -1.261 -0.851 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.254 -0.922 -0.179 0.00 0.00 O+0 HETATM 33 O UNK 0 -0.202 -0.584 1.313 0.00 0.00 O+0 HETATM 34 C UNK 0 0.535 -0.267 2.375 0.00 0.00 C+0 HETATM 35 O UNK 0 0.549 -0.737 3.548 0.00 0.00 O+0 HETATM 36 C UNK 0 1.551 0.844 2.220 0.00 0.00 C+0 HETATM 37 C UNK 0 0.945 2.014 3.020 0.00 0.00 C+0 HETATM 38 C UNK 0 2.838 0.455 2.868 0.00 0.00 C+0 HETATM 39 C UNK 0 3.295 -0.937 2.605 0.00 0.00 C+0 HETATM 40 C UNK 0 4.815 -0.770 2.569 0.00 0.00 C+0 HETATM 41 C UNK 0 4.949 0.630 2.069 0.00 0.00 C+0 HETATM 42 O UNK 0 3.872 1.319 2.658 0.00 0.00 O+0 HETATM 43 C UNK 0 4.671 0.720 0.582 0.00 0.00 C+0 HETATM 44 C UNK 0 4.527 2.144 0.131 0.00 0.00 C+0 HETATM 45 H UNK 0 9.311 2.486 -0.010 0.00 0.00 H+0 HETATM 46 H UNK 0 9.126 1.154 1.142 0.00 0.00 H+0 HETATM 47 H UNK 0 9.605 0.806 -0.615 0.00 0.00 H+0 HETATM 48 H UNK 0 7.074 2.200 0.330 0.00 0.00 H+0 HETATM 49 H UNK 0 7.403 1.614 -1.345 0.00 0.00 H+0 HETATM 50 H UNK 0 7.152 -0.220 1.086 0.00 0.00 H+0 HETATM 51 H UNK 0 7.558 -0.696 -0.605 0.00 0.00 H+0 HETATM 52 H UNK 0 5.293 -1.211 -0.008 0.00 0.00 H+0 HETATM 53 H UNK 0 3.927 -2.391 -3.179 0.00 0.00 H+0 HETATM 54 H UNK 0 4.018 0.216 -4.675 0.00 0.00 H+0 HETATM 55 H UNK 0 4.226 -1.408 -5.380 0.00 0.00 H+0 HETATM 56 H UNK 0 2.569 -0.920 -4.897 0.00 0.00 H+0 HETATM 57 H UNK 0 3.158 -0.964 -1.286 0.00 0.00 H+0 HETATM 58 H UNK 0 3.176 1.385 -2.290 0.00 0.00 H+0 HETATM 59 H UNK 0 2.242 0.716 -3.704 0.00 0.00 H+0 HETATM 60 H UNK 0 0.265 0.970 -2.579 0.00 0.00 H+0 HETATM 61 H UNK 0 1.216 1.496 -1.096 0.00 0.00 H+0 HETATM 62 H UNK 0 1.717 -0.715 -0.477 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.042 -0.137 -1.035 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.912 -1.851 -2.380 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.328 -1.551 -3.034 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.470 -2.986 -2.051 0.00 0.00 H+0 HETATM 67 H UNK 0 0.441 -2.370 0.371 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.339 -2.750 1.849 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.907 -4.255 -0.112 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.456 -4.324 0.704 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.464 -3.553 -0.863 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.686 -2.402 1.119 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.276 0.211 1.958 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.047 -0.999 3.029 0.00 0.00 H+0 HETATM 75 H UNK 0 -5.097 -0.309 2.318 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.294 1.100 1.537 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.161 -1.461 0.242 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.337 -0.124 -1.694 0.00 0.00 H+0 HETATM 79 H UNK 0 -4.704 1.357 -0.854 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.393 1.065 0.879 0.00 0.00 H+0 HETATM 81 H UNK 0 -7.686 1.145 -1.944 0.00 0.00 H+0 HETATM 82 H UNK 0 -8.473 1.555 -0.365 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.979 2.869 -1.467 0.00 0.00 H+0 HETATM 84 H UNK 0 -7.700 3.559 -1.588 0.00 0.00 H+0 HETATM 85 H UNK 0 -7.601 3.062 1.064 0.00 0.00 H+0 HETATM 86 H UNK 0 -5.828 3.488 0.743 0.00 0.00 H+0 HETATM 87 H UNK 0 -7.158 4.590 0.301 0.00 0.00 H+0 HETATM 88 H UNK 0 -7.630 0.315 2.035 0.00 0.00 H+0 HETATM 89 H UNK 0 -9.012 -0.569 1.336 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.692 -1.478 2.118 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.749 -2.359 -0.881 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.816 -0.870 -1.869 0.00 0.00 H+0 HETATM 93 H UNK 0 -9.082 -1.206 -0.557 0.00 0.00 H+0 HETATM 94 H UNK 0 1.597 1.218 1.205 0.00 0.00 H+0 HETATM 95 H UNK 0 1.561 2.929 2.915 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.027 2.218 2.516 0.00 0.00 H+0 HETATM 97 H UNK 0 0.805 1.667 4.051 0.00 0.00 H+0 HETATM 98 H UNK 0 2.629 0.510 3.983 0.00 0.00 H+0 HETATM 99 H UNK 0 2.888 -1.347 1.684 0.00 0.00 H+0 HETATM 100 H UNK 0 2.984 -1.647 3.421 0.00 0.00 H+0 HETATM 101 H UNK 0 5.189 -0.786 3.626 0.00 0.00 H+0 HETATM 102 H UNK 0 5.303 -1.546 1.980 0.00 0.00 H+0 HETATM 103 H UNK 0 5.895 1.077 2.374 0.00 0.00 H+0 HETATM 104 H UNK 0 3.628 0.285 0.518 0.00 0.00 H+0 HETATM 105 H UNK 0 3.443 2.447 -0.014 0.00 0.00 H+0 HETATM 106 H UNK 0 5.000 2.363 -0.835 0.00 0.00 H+0 HETATM 107 H UNK 0 4.860 2.802 0.969 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 1 3 48 49 CONECT 3 2 4 50 51 CONECT 4 3 5 43 52 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 10 53 CONECT 9 8 54 55 56 CONECT 10 8 11 14 57 CONECT 11 10 12 58 59 CONECT 12 11 13 60 61 CONECT 13 12 14 15 62 CONECT 14 13 10 CONECT 15 13 16 17 63 CONECT 16 15 64 65 66 CONECT 17 15 18 33 67 CONECT 18 17 19 20 68 CONECT 19 18 69 70 71 CONECT 20 18 21 32 72 CONECT 21 20 22 73 74 CONECT 22 21 23 75 76 CONECT 23 22 24 32 77 CONECT 24 23 25 78 79 CONECT 25 24 26 29 80 CONECT 26 25 27 81 82 CONECT 27 26 28 83 84 CONECT 28 27 85 86 87 CONECT 29 25 30 31 CONECT 30 29 88 89 90 CONECT 31 29 91 92 93 CONECT 32 23 20 CONECT 33 17 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 38 94 CONECT 37 36 95 96 97 CONECT 38 36 39 42 98 CONECT 39 38 40 99 100 CONECT 40 39 41 101 102 CONECT 41 40 42 43 103 CONECT 42 41 38 CONECT 43 41 44 4 104 CONECT 44 43 105 106 107 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 2 CONECT 49 2 CONECT 50 3 CONECT 51 3 CONECT 52 4 CONECT 53 8 CONECT 54 9 CONECT 55 9 CONECT 56 9 CONECT 57 10 CONECT 58 11 CONECT 59 11 CONECT 60 12 CONECT 61 12 CONECT 62 13 CONECT 63 15 CONECT 64 16 CONECT 65 16 CONECT 66 16 CONECT 67 17 CONECT 68 18 CONECT 69 19 CONECT 70 19 CONECT 71 19 CONECT 72 20 CONECT 73 21 CONECT 74 21 CONECT 75 22 CONECT 76 22 CONECT 77 23 CONECT 78 24 CONECT 79 24 CONECT 80 25 CONECT 81 26 CONECT 82 26 CONECT 83 27 CONECT 84 27 CONECT 85 28 CONECT 86 28 CONECT 87 28 CONECT 88 30 CONECT 89 30 CONECT 90 30 CONECT 91 31 CONECT 92 31 CONECT 93 31 CONECT 94 36 CONECT 95 37 CONECT 96 37 CONECT 97 37 CONECT 98 38 CONECT 99 39 CONECT 100 39 CONECT 101 40 CONECT 102 40 CONECT 103 41 CONECT 104 43 CONECT 105 44 CONECT 106 44 CONECT 107 44 MASTER 0 0 0 0 0 0 0 0 107 0 220 0 END SMILES for NP0022207 (Pamamycin 621A)[H]C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])[C@]1([H])OC(=O)[C@@]([H])(C([H])([H])[H])[C@]2([H])O[C@@]([H])(C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])[C@]2([H])O[C@@]([H])(C([H])([H])C2([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0022207 (Pamamycin 621A)InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-/m0/s1 3D Structure for NP0022207 (Pamamycin 621A) | 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Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C36H63NO7 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 621.9000 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 621.46045 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCC[C@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H](CCC)OC(=O)[C@H](C)[C@H]2CC[C@H](O2)[C@H]1C)N(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | MMFMMXXZYTWNGM-ZZSWZHNPSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Species Where Detected |
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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 | NPA011436 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | C00016114 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 8683538 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 10508137 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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