Showing NP-Card for Pradimicin-T2 (NP0022981)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 08:07:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:40:31 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0022981 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Pradimicin-T2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Pradimicin-T2 is found in Actinomyces. It was first documented in 1993 (PMID: 8501002). Based on a literature review very few articles have been published on Pradimicin-T2. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0022981 (Pradimicin-T2)Mrv1652307042108123D 94100 0 0 0 0 999 V2000 -5.9219 3.4593 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 2.8509 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 1.8995 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 1.2704 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 1.6105 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 2.5701 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 2.9375 1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 3.2057 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 4.1572 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 4.3739 2.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 4.9413 2.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 5.8221 3.9997 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0693 6.5703 4.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 6.4829 4.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 7.4290 5.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 1.0366 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.2109 -1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 -0.4825 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -0.3676 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 0.4460 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 1.1667 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.9270 0.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.5372 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 1.2567 0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 -0.2469 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.1514 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0191 -0.8603 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -0.7072 0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4341 -1.2430 0.0734 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6011 -2.3746 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -3.0916 0.4623 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9312 -2.2220 0.3307 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2747 -1.9665 -0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6454 -0.9099 1.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7451 -0.0667 1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 -0.2242 0.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0442 0.8666 1.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -1.6605 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.7808 -2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -2.6056 -3.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -1.0656 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.1335 -2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -1.8630 -3.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 0.0718 -2.7173 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4402 1.1914 -3.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 0.1631 -1.8540 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7034 -1.0071 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 -1.7320 -1.2894 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5103 -3.0227 -1.5858 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 -3.9468 -1.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3661 -3.8358 -2.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3785 -4.0371 -0.4453 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7984 -4.7866 0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7246 -2.6782 0.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7575 -2.1426 -0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5495 -1.7555 0.0951 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5364 -2.1355 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 4.4918 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 2.9386 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 3.1721 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5694 1.6211 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 3.5679 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 4.9984 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 6.5453 3.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 5.1864 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 8.4082 5.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.1353 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 2.1462 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 0.4980 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -1.6601 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 -3.8815 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 -3.6151 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7965 -2.7325 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 -2.7233 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 -1.1861 2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 -0.2588 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 0.1323 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5007 0.5359 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -2.2152 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -2.8303 -3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -0.8714 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 1.9720 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.3113 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 -1.2483 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -4.9511 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7907 -2.8334 -3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 -4.5416 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -4.1684 -3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 -4.5523 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 -4.7446 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0198 -2.8302 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6022 -2.3617 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -0.7302 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -2.8054 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 5 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 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 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 27 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 17 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 8 2 1 0 0 0 0 21 16 1 0 0 0 0 41 25 1 0 0 0 0 56 48 1 0 0 0 0 46 4 1 0 0 0 0 42 19 1 0 0 0 0 36 29 1 0 0 0 0 1 58 1 0 0 0 0 1 59 1 0 0 0 0 1 60 1 0 0 0 0 3 61 1 0 0 0 0 7 62 1 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 12 65 1 0 0 0 0 15 66 1 0 0 0 0 18 67 1 0 0 0 0 22 68 1 0 0 0 0 26 69 1 0 0 0 0 29 70 1 6 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 1 0 0 0 33 74 1 0 0 0 0 34 75 1 1 0 0 0 35 76 1 0 0 0 0 36 77 1 6 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 40 80 1 0 0 0 0 44 81 1 6 0 0 0 45 82 1 0 0 0 0 46 83 1 6 0 0 0 48 84 1 6 0 0 0 50 85 1 6 0 0 0 51 86 1 0 0 0 0 51 87 1 0 0 0 0 51 88 1 0 0 0 0 52 89 1 6 0 0 0 53 90 1 0 0 0 0 54 91 1 1 0 0 0 55 92 1 0 0 0 0 56 93 1 1 0 0 0 57 94 1 0 0 0 0 M END 3D MOL for NP0022981 (Pradimicin-T2)RDKit 3D 94100 0 0 0 0 0 0 0 0999 V2000 -5.9219 3.4593 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 2.8509 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 1.8995 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 1.2704 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 1.6105 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 2.5701 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 2.9375 1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 3.2057 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 4.1572 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 4.3739 2.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 4.9413 2.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 5.8221 3.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 6.5703 4.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 6.4829 4.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 7.4290 5.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 1.0366 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.2109 -1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 -0.4825 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -0.3676 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 0.4460 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 1.1667 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.9270 0.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.5372 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 1.2567 0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 -0.2469 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.1514 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0191 -0.8603 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -0.7072 0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4341 -1.2430 0.0734 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6011 -2.3746 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -3.0916 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9312 -2.2220 0.3307 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2747 -1.9665 -0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6454 -0.9099 1.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7451 -0.0667 1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 -0.2242 0.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0442 0.8666 1.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -1.6605 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.7808 -2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -2.6056 -3.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -1.0656 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.1335 -2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -1.8630 -3.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 0.0718 -2.7173 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4402 1.1914 -3.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 0.1631 -1.8540 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7034 -1.0071 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 -1.7320 -1.2894 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5103 -3.0227 -1.5858 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 -3.9468 -1.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3661 -3.8358 -2.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3785 -4.0371 -0.4453 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7984 -4.7866 0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7246 -2.6782 0.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7575 -2.1426 -0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5495 -1.7555 0.0951 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5364 -2.1355 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 4.4918 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 2.9386 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 3.1721 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5694 1.6211 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 3.5679 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 4.9984 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 6.5453 3.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 5.1864 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 8.4082 5.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.1353 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 2.1462 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 0.4980 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -1.6601 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 -3.8815 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 -3.6151 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7965 -2.7325 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 -2.7233 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 -1.1861 2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 -0.2588 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 0.1323 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5007 0.5359 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -2.2152 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -2.8303 -3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -0.8714 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 1.9720 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.3113 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 -1.2483 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -4.9511 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7907 -2.8334 -3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 -4.5416 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -4.1684 -3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 -4.5523 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 -4.7446 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0198 -2.8302 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6022 -2.3617 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -0.7302 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -2.8054 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 5 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 20 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 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 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 27 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 2 0 17 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 8 2 1 0 21 16 1 0 41 25 1 0 56 48 1 0 46 4 1 0 42 19 1 0 36 29 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 7 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 15 66 1 0 18 67 1 0 22 68 1 0 26 69 1 0 29 70 1 6 31 71 1 0 31 72 1 0 32 73 1 1 33 74 1 0 34 75 1 1 35 76 1 0 36 77 1 6 37 78 1 0 38 79 1 0 40 80 1 0 44 81 1 6 45 82 1 0 46 83 1 6 48 84 1 6 50 85 1 6 51 86 1 0 51 87 1 0 51 88 1 0 52 89 1 6 53 90 1 0 54 91 1 1 55 92 1 0 56 93 1 1 57 94 1 0 M END 3D SDF for NP0022981 (Pradimicin-T2)Mrv1652307042108123D 94100 0 0 0 0 999 V2000 -5.9219 3.4593 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 2.8509 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 1.8995 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 1.2704 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 1.6105 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 2.5701 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 2.9375 1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 3.2057 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 4.1572 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 4.3739 2.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 4.9413 2.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 5.8221 3.9997 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0693 6.5703 4.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 6.4829 4.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 7.4290 5.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 1.0366 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.2109 -1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 -0.4825 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -0.3676 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 0.4460 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 1.1667 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.9270 0.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.5372 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 1.2567 0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 -0.2469 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.1514 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0191 -0.8603 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -0.7072 0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4341 -1.2430 0.0734 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6011 -2.3746 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -3.0916 0.4623 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9312 -2.2220 0.3307 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2747 -1.9665 -0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6454 -0.9099 1.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7451 -0.0667 1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 -0.2242 0.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0442 0.8666 1.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -1.6605 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.7808 -2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -2.6056 -3.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -1.0656 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.1335 -2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -1.8630 -3.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 0.0718 -2.7173 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4402 1.1914 -3.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 0.1631 -1.8540 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7034 -1.0071 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 -1.7320 -1.2894 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5103 -3.0227 -1.5858 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 -3.9468 -1.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3661 -3.8358 -2.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3785 -4.0371 -0.4453 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7984 -4.7866 0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7246 -2.6782 0.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7575 -2.1426 -0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5495 -1.7555 0.0951 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5364 -2.1355 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 4.4918 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 2.9386 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 3.1721 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5694 1.6211 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 3.5679 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 4.9984 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 6.5453 3.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 5.1864 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 8.4082 5.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.1353 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 2.1462 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 0.4980 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -1.6601 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 -3.8815 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 -3.6151 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7965 -2.7325 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 -2.7233 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 -1.1861 2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 -0.2588 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 0.1323 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5007 0.5359 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -2.2152 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -2.8303 -3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -0.8714 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 1.9720 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.3113 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 -1.2483 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -4.9511 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7907 -2.8334 -3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 -4.5416 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -4.1684 -3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 -4.5523 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 -4.7446 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0198 -2.8302 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6022 -2.3617 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -0.7302 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -2.8054 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 5 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 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 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 27 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 17 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 8 2 1 0 0 0 0 21 16 1 0 0 0 0 41 25 1 0 0 0 0 56 48 1 0 0 0 0 46 4 1 0 0 0 0 42 19 1 0 0 0 0 36 29 1 0 0 0 0 1 58 1 0 0 0 0 1 59 1 0 0 0 0 1 60 1 0 0 0 0 3 61 1 0 0 0 0 7 62 1 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 12 65 1 0 0 0 0 15 66 1 0 0 0 0 18 67 1 0 0 0 0 22 68 1 0 0 0 0 26 69 1 0 0 0 0 29 70 1 6 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 1 0 0 0 33 74 1 0 0 0 0 34 75 1 1 0 0 0 35 76 1 0 0 0 0 36 77 1 6 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 40 80 1 0 0 0 0 44 81 1 6 0 0 0 45 82 1 0 0 0 0 46 83 1 6 0 0 0 48 84 1 6 0 0 0 50 85 1 6 0 0 0 51 86 1 0 0 0 0 51 87 1 0 0 0 0 51 88 1 0 0 0 0 52 89 1 6 0 0 0 53 90 1 0 0 0 0 54 91 1 1 0 0 0 55 92 1 0 0 0 0 56 93 1 1 0 0 0 57 94 1 0 0 0 0 M END > <DATABASE_ID> NP0022981 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])N([H])C(=O)C1=C(O[H])C2=C(C([H])=C1C([H])([H])[H])[C@]([H])(O[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(O[H])C1=C2C(O[H])=C2C(=O)C3=C([H])C(O[C@]4([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])=C([H])C(O[H])=C3C(=O)C2=C1[H] > <INCHI_IDENTIFIER> InChI=1S/C37H37NO19/c1-9-3-15-22(29(48)19(9)35(53)38-7-18(41)42)21-13(27(46)34(15)57-37-33(52)31(50)24(43)10(2)55-37)6-14-23(30(21)49)26(45)12-4-11(5-16(39)20(12)25(14)44)56-36-32(51)28(47)17(40)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-40,43,46-52H,7-8H2,1-2H3,(H,38,53)(H,41,42)/t10-,17-,24-,27+,28-,31+,32+,33-,34+,36+,37-/m1/s1 > <INCHI_KEY> YNXJAOKAYJEVKX-PTXRADAJSA-N > <FORMULA> C37H37NO19 > <MOLECULAR_WEIGHT> 799.691 > <EXACT_MASS> 799.195977975 > <JCHEM_ACCEPTOR_COUNT> 19 > <JCHEM_ATOM_COUNT> 94 > <JCHEM_AVERAGE_POLARIZABILITY> 79.84675990141795 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 12 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-{[(10S,11S)-2,5,11,17-tetrahydroxy-7-methyl-15,22-dioxo-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-19-{[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaen-6-yl]formamido}acetic acid > <ALOGPS_LOGP> 0.13 > <JCHEM_LOGP> 0.4190420393333344 > <ALOGPS_LOGS> -2.64 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 7 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 7.010677824582683 > <JCHEM_PKA_STRONGEST_ACIDIC> 2.9980630315327144 > <JCHEM_PKA_STRONGEST_BASIC> -3.6730117110442935 > <JCHEM_POLAR_SURFACE_AREA> 339.76000000000005 > <JCHEM_REFRACTIVITY> 187.36640000000003 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.84e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> {[(10S,11S)-2,5,11,17-tetrahydroxy-7-methyl-15,22-dioxo-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-19-{[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaen-6-yl]formamido}acetic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0022981 (Pradimicin-T2)RDKit 3D 94100 0 0 0 0 0 0 0 0999 V2000 -5.9219 3.4593 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 2.8509 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 1.8995 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 1.2704 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 1.6105 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 2.5701 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 2.9375 1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 3.2057 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 4.1572 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 4.3739 2.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 4.9413 2.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 5.8221 3.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 6.5703 4.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 6.4829 4.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 7.4290 5.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 1.0366 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.2109 -1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 -0.4825 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -0.3676 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 0.4460 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 1.1667 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.9270 0.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.5372 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 1.2567 0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 -0.2469 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.1514 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0191 -0.8603 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -0.7072 0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4341 -1.2430 0.0734 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6011 -2.3746 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -3.0916 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9312 -2.2220 0.3307 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2747 -1.9665 -0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6454 -0.9099 1.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7451 -0.0667 1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 -0.2242 0.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0442 0.8666 1.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -1.6605 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.7808 -2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -2.6056 -3.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -1.0656 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.1335 -2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -1.8630 -3.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 0.0718 -2.7173 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4402 1.1914 -3.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 0.1631 -1.8540 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7034 -1.0071 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 -1.7320 -1.2894 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5103 -3.0227 -1.5858 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 -3.9468 -1.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3661 -3.8358 -2.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3785 -4.0371 -0.4453 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7984 -4.7866 0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7246 -2.6782 0.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7575 -2.1426 -0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5495 -1.7555 0.0951 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5364 -2.1355 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 4.4918 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 2.9386 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 3.1721 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5694 1.6211 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 3.5679 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 4.9984 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 6.5453 3.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 5.1864 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 8.4082 5.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.1353 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 2.1462 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 0.4980 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -1.6601 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 -3.8815 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 -3.6151 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7965 -2.7325 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 -2.7233 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 -1.1861 2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 -0.2588 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 0.1323 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5007 0.5359 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -2.2152 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -2.8303 -3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -0.8714 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 1.9720 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.3113 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 -1.2483 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -4.9511 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7907 -2.8334 -3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 -4.5416 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -4.1684 -3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 -4.5523 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 -4.7446 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0198 -2.8302 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6022 -2.3617 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -0.7302 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -2.8054 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 5 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 20 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 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 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 27 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 2 0 17 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 8 2 1 0 21 16 1 0 41 25 1 0 56 48 1 0 46 4 1 0 42 19 1 0 36 29 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 7 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 15 66 1 0 18 67 1 0 22 68 1 0 26 69 1 0 29 70 1 6 31 71 1 0 31 72 1 0 32 73 1 1 33 74 1 0 34 75 1 1 35 76 1 0 36 77 1 6 37 78 1 0 38 79 1 0 40 80 1 0 44 81 1 6 45 82 1 0 46 83 1 6 48 84 1 6 50 85 1 6 51 86 1 0 51 87 1 0 51 88 1 0 52 89 1 6 53 90 1 0 54 91 1 1 55 92 1 0 56 93 1 1 57 94 1 0 M END PDB for NP0022981 (Pradimicin-T2)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 -5.922 3.459 0.977 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.615 2.851 0.576 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.627 1.900 -0.417 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.487 1.270 -0.837 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.273 1.611 -0.240 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.242 2.570 0.762 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.112 2.938 1.352 0.00 0.00 O+0 HETATM 8 C UNK 0 -3.438 3.206 1.184 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.356 4.157 2.270 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.200 4.374 2.827 0.00 0.00 O+0 HETATM 11 N UNK 0 -4.335 4.941 2.878 0.00 0.00 N+0 HETATM 12 C UNK 0 -3.919 5.822 4.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.069 6.570 4.534 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.243 6.483 4.101 0.00 0.00 O+0 HETATM 15 O UNK 0 -4.819 7.429 5.592 0.00 0.00 O+0 HETATM 16 C UNK 0 -1.055 1.037 -0.794 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.182 0.211 -1.911 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.092 -0.483 -2.374 0.00 0.00 C+0 HETATM 19 C UNK 0 1.123 -0.368 -1.748 0.00 0.00 C+0 HETATM 20 C UNK 0 1.252 0.446 -0.650 0.00 0.00 C+0 HETATM 21 C UNK 0 0.148 1.167 -0.154 0.00 0.00 C+0 HETATM 22 O UNK 0 0.357 1.927 0.920 0.00 0.00 O+0 HETATM 23 C UNK 0 2.547 0.537 -0.007 0.00 0.00 C+0 HETATM 24 O UNK 0 2.736 1.257 0.995 0.00 0.00 O+0 HETATM 25 C UNK 0 3.679 -0.247 -0.556 0.00 0.00 C+0 HETATM 26 C UNK 0 4.900 -0.151 0.077 0.00 0.00 C+0 HETATM 27 C UNK 0 6.019 -0.860 -0.370 0.00 0.00 C+0 HETATM 28 O UNK 0 7.182 -0.707 0.318 0.00 0.00 O+0 HETATM 29 C UNK 0 8.434 -1.243 0.073 0.00 0.00 C+0 HETATM 30 O UNK 0 8.601 -2.375 0.899 0.00 0.00 O+0 HETATM 31 C UNK 0 9.723 -3.092 0.462 0.00 0.00 C+0 HETATM 32 C UNK 0 10.931 -2.222 0.331 0.00 0.00 C+0 HETATM 33 O UNK 0 11.275 -1.966 -0.998 0.00 0.00 O+0 HETATM 34 C UNK 0 10.645 -0.910 1.063 0.00 0.00 C+0 HETATM 35 O UNK 0 11.745 -0.067 1.088 0.00 0.00 O+0 HETATM 36 C UNK 0 9.497 -0.224 0.349 0.00 0.00 C+0 HETATM 37 O UNK 0 9.044 0.867 1.065 0.00 0.00 O+0 HETATM 38 C UNK 0 5.861 -1.661 -1.468 0.00 0.00 C+0 HETATM 39 C UNK 0 4.628 -1.781 -2.136 0.00 0.00 C+0 HETATM 40 O UNK 0 4.613 -2.606 -3.205 0.00 0.00 O+0 HETATM 41 C UNK 0 3.550 -1.066 -1.663 0.00 0.00 C+0 HETATM 42 C UNK 0 2.239 -1.133 -2.282 0.00 0.00 C+0 HETATM 43 O UNK 0 2.079 -1.863 -3.286 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.441 0.072 -2.717 0.00 0.00 C+0 HETATM 45 O UNK 0 -2.440 1.191 -3.581 0.00 0.00 O+0 HETATM 46 C UNK 0 -3.635 0.163 -1.854 0.00 0.00 C+0 HETATM 47 O UNK 0 -3.703 -1.007 -1.091 0.00 0.00 O+0 HETATM 48 C UNK 0 -4.879 -1.732 -1.289 0.00 0.00 C+0 HETATM 49 O UNK 0 -4.510 -3.023 -1.586 0.00 0.00 O+0 HETATM 50 C UNK 0 -5.511 -3.947 -1.657 0.00 0.00 C+0 HETATM 51 C UNK 0 -6.366 -3.836 -2.909 0.00 0.00 C+0 HETATM 52 C UNK 0 -6.378 -4.037 -0.445 0.00 0.00 C+0 HETATM 53 O UNK 0 -5.798 -4.787 0.578 0.00 0.00 O+0 HETATM 54 C UNK 0 -6.725 -2.678 0.126 0.00 0.00 C+0 HETATM 55 O UNK 0 -7.758 -2.143 -0.597 0.00 0.00 O+0 HETATM 56 C UNK 0 -5.550 -1.756 0.095 0.00 0.00 C+0 HETATM 57 O UNK 0 -4.536 -2.135 0.999 0.00 0.00 O+0 HETATM 58 H UNK 0 -6.005 4.492 0.651 0.00 0.00 H+0 HETATM 59 H UNK 0 -6.719 2.939 0.324 0.00 0.00 H+0 HETATM 60 H UNK 0 -6.233 3.172 1.978 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.569 1.621 -0.901 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.815 3.568 2.033 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.303 4.998 2.650 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.150 6.545 3.680 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.433 5.186 4.790 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.139 8.408 5.582 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.197 -1.135 -3.252 0.00 0.00 H+0 HETATM 68 H UNK 0 1.106 2.146 1.507 0.00 0.00 H+0 HETATM 69 H UNK 0 4.966 0.498 0.939 0.00 0.00 H+0 HETATM 70 H UNK 0 8.453 -1.660 -0.964 0.00 0.00 H+0 HETATM 71 H UNK 0 9.916 -3.882 1.209 0.00 0.00 H+0 HETATM 72 H UNK 0 9.504 -3.615 -0.505 0.00 0.00 H+0 HETATM 73 H UNK 0 11.797 -2.732 0.789 0.00 0.00 H+0 HETATM 74 H UNK 0 11.031 -2.723 -1.586 0.00 0.00 H+0 HETATM 75 H UNK 0 10.389 -1.186 2.106 0.00 0.00 H+0 HETATM 76 H UNK 0 12.291 -0.259 1.869 0.00 0.00 H+0 HETATM 77 H UNK 0 9.891 0.132 -0.620 0.00 0.00 H+0 HETATM 78 H UNK 0 8.501 0.536 1.833 0.00 0.00 H+0 HETATM 79 H UNK 0 6.724 -2.215 -1.821 0.00 0.00 H+0 HETATM 80 H UNK 0 3.887 -2.830 -3.795 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.392 -0.871 -3.263 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.150 1.972 -3.016 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.537 0.311 -2.467 0.00 0.00 H+0 HETATM 84 H UNK 0 -5.536 -1.248 -2.025 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.001 -4.951 -1.755 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.791 -2.833 -3.037 0.00 0.00 H+0 HETATM 87 H UNK 0 -7.224 -4.542 -2.719 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.745 -4.168 -3.764 0.00 0.00 H+0 HETATM 89 H UNK 0 -7.325 -4.552 -0.708 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.319 -4.745 1.407 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.020 -2.830 1.186 0.00 0.00 H+0 HETATM 92 H UNK 0 -8.602 -2.362 -0.127 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.906 -0.730 0.323 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.938 -2.805 0.584 0.00 0.00 H+0 CONECT 1 2 58 59 60 CONECT 2 1 3 8 CONECT 3 2 4 61 CONECT 4 3 5 46 CONECT 5 4 6 16 CONECT 6 5 7 8 CONECT 7 6 62 CONECT 8 6 9 2 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 63 CONECT 12 11 13 64 65 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 66 CONECT 16 5 17 21 CONECT 17 16 18 44 CONECT 18 17 19 67 CONECT 19 18 20 42 CONECT 20 19 21 23 CONECT 21 20 22 16 CONECT 22 21 68 CONECT 23 20 24 25 CONECT 24 23 CONECT 25 23 26 41 CONECT 26 25 27 69 CONECT 27 26 28 38 CONECT 28 27 29 CONECT 29 28 30 36 70 CONECT 30 29 31 CONECT 31 30 32 71 72 CONECT 32 31 33 34 73 CONECT 33 32 74 CONECT 34 32 35 36 75 CONECT 35 34 76 CONECT 36 34 37 29 77 CONECT 37 36 78 CONECT 38 27 39 79 CONECT 39 38 40 41 CONECT 40 39 80 CONECT 41 39 42 25 CONECT 42 41 43 19 CONECT 43 42 CONECT 44 17 45 46 81 CONECT 45 44 82 CONECT 46 44 47 4 83 CONECT 47 46 48 CONECT 48 47 49 56 84 CONECT 49 48 50 CONECT 50 49 51 52 85 CONECT 51 50 86 87 88 CONECT 52 50 53 54 89 CONECT 53 52 90 CONECT 54 52 55 56 91 CONECT 55 54 92 CONECT 56 54 57 48 93 CONECT 57 56 94 CONECT 58 1 CONECT 59 1 CONECT 60 1 CONECT 61 3 CONECT 62 7 CONECT 63 11 CONECT 64 12 CONECT 65 12 CONECT 66 15 CONECT 67 18 CONECT 68 22 CONECT 69 26 CONECT 70 29 CONECT 71 31 CONECT 72 31 CONECT 73 32 CONECT 74 33 CONECT 75 34 CONECT 76 35 CONECT 77 36 CONECT 78 37 CONECT 79 38 CONECT 80 40 CONECT 81 44 CONECT 82 45 CONECT 83 46 CONECT 84 48 CONECT 85 50 CONECT 86 51 CONECT 87 51 CONECT 88 51 CONECT 89 52 CONECT 90 53 CONECT 91 54 CONECT 92 55 CONECT 93 56 CONECT 94 57 MASTER 0 0 0 0 0 0 0 0 94 0 200 0 END SMILES for NP0022981 (Pradimicin-T2)[H]OC(=O)C([H])([H])N([H])C(=O)C1=C(O[H])C2=C(C([H])=C1C([H])([H])[H])[C@]([H])(O[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(O[H])C1=C2C(O[H])=C2C(=O)C3=C([H])C(O[C@]4([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])=C([H])C(O[H])=C3C(=O)C2=C1[H] INCHI for NP0022981 (Pradimicin-T2)InChI=1S/C37H37NO19/c1-9-3-15-22(29(48)19(9)35(53)38-7-18(41)42)21-13(27(46)34(15)57-37-33(52)31(50)24(43)10(2)55-37)6-14-23(30(21)49)26(45)12-4-11(5-16(39)20(12)25(14)44)56-36-32(51)28(47)17(40)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-40,43,46-52H,7-8H2,1-2H3,(H,38,53)(H,41,42)/t10-,17-,24-,27+,28-,31+,32+,33-,34+,36+,37-/m1/s1 3D Structure for NP0022981 (Pradimicin-T2) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H37NO19 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 799.6910 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 799.19598 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-{[(10S,11S)-2,5,11,17-tetrahydroxy-7-methyl-15,22-dioxo-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-19-{[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaen-6-yl]formamido}acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | {[(10S,11S)-2,5,11,17-tetrahydroxy-7-methyl-15,22-dioxo-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-19-{[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaen-6-yl]formamido}acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC1OC(O[C@@H]2[C@@H](O)C3=C(C(O)=C4C(=O)C5=CC(OC6OCC(O)C(O)C6O)=CC(O)=C5C(=O)C4=C3)C3=C(O)C(C(=O)NCC(O)=O)=C(C)C=C23)C(O)C(O)C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H37NO19/c1-9-3-15-22(29(48)19(9)35(53)38-7-18(41)42)21-13(27(46)34(15)57-37-33(52)31(50)24(43)10(2)55-37)6-14-23(30(21)49)26(45)12-4-11(5-16(39)20(12)25(14)44)56-36-32(51)28(47)17(40)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-40,43,46-52H,7-8H2,1-2H3,(H,38,53)(H,41,42)/t10?,17?,24?,27-,28?,31?,32?,33?,34-,36?,37?/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | YNXJAOKAYJEVKX-PTXRADAJSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA008810 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78445151 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139585555 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|