Showing NP-Card for Qinimycin B (NP0016109)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 01:10:50 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:21:48 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0016109 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Qinimycin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Qinimycin B is found in Streptomyces. It was first documented in 2017 (PMID: 28128554). Based on a literature review very few articles have been published on CHEMBL4103055. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0016109 (Qinimycin B)Mrv1652306242117263D 62 66 0 0 0 0 999 V2000 -5.3742 3.0053 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 1.9011 1.2746 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.6777 0.7118 0.4668 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2104 0.8833 -0.9385 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7796 1.1891 -1.0916 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8351 0.5279 -0.0850 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1360 -0.6347 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -1.2923 -1.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -2.3800 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -2.8800 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 -3.9662 -2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.2500 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.1388 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -0.4847 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 -0.0012 1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -0.4220 1.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8105 -1.3492 1.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -1.4482 0.3958 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9523 -2.6467 -0.0566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6992 -3.4894 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.2417 -0.1653 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0540 -1.2012 -1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -0.1781 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 0.9997 0.3511 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9885 2.0759 0.9067 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3691 3.4030 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 3.8649 2.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 4.1267 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 0.9768 1.0107 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6783 1.6039 2.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.2541 1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -0.2882 1.0911 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8792 -1.6684 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3338 3.0980 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 3.9455 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 3.1172 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7878 1.6443 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7029 0.2998 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 -0.0043 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 1.7186 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 2.3246 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 1.0126 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 1.2977 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -0.9808 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 -2.9110 -3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -4.3353 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -3.2169 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -4.2476 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -2.1561 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 -2.2332 -2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.6283 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -0.7075 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 1.2227 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 2.0593 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 1.7269 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 5.0646 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 1.5596 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 1.2639 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 -0.3182 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -1.7166 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -2.2320 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -2.2298 0.7054 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 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 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 2 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 3 1 0 0 0 0 13 7 1 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 29 16 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 6 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 1 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 11 46 1 0 0 0 0 19 47 1 6 0 0 0 20 48 1 0 0 0 0 21 49 1 6 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 24 53 1 6 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 6 0 0 0 30 58 1 0 0 0 0 32 59 1 1 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END 3D MOL for NP0016109 (Qinimycin B)RDKit 3D 62 66 0 0 0 0 0 0 0 0999 V2000 -5.3742 3.0053 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 1.9011 1.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 0.7118 0.4668 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2104 0.8833 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 1.1891 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 0.5279 -0.0850 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1360 -0.6347 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -1.2923 -1.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -2.3800 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -2.8800 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 -3.9662 -2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.2500 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.1388 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -0.4847 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 -0.0012 1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -0.4220 1.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8105 -1.3492 1.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -1.4482 0.3958 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9523 -2.6467 -0.0566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6992 -3.4894 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.2417 -0.1653 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0540 -1.2012 -1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -0.1781 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 0.9997 0.3511 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9885 2.0759 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 3.4030 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 3.8649 2.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 4.1267 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 0.9768 1.0107 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6783 1.6039 2.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.2541 1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -0.2882 1.0911 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8792 -1.6684 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3338 3.0980 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 3.9455 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 3.1172 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7878 1.6443 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7029 0.2998 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 -0.0043 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 1.7186 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 2.3246 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 1.0126 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 1.2977 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -0.9808 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 -2.9110 -3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -4.3353 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -3.2169 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -4.2476 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -2.1561 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 -2.2332 -2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.6283 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -0.7075 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 1.2227 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 2.0593 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 1.7269 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 5.0646 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 1.5596 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 1.2639 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 -0.3182 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -1.7166 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -2.2320 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -2.2298 0.7054 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 1 18 17 1 1 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 29 1 0 29 30 1 0 6 31 1 0 31 32 1 0 32 33 1 0 32 3 1 0 13 7 1 0 18 16 1 0 19 12 1 0 29 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 6 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 1 8 44 1 0 9 45 1 0 11 46 1 0 19 47 1 6 20 48 1 0 21 49 1 6 22 50 1 0 22 51 1 0 22 52 1 0 24 53 1 6 25 54 1 0 25 55 1 0 28 56 1 0 29 57 1 6 30 58 1 0 32 59 1 1 33 60 1 0 33 61 1 0 33 62 1 0 M END 3D SDF for NP0016109 (Qinimycin B)Mrv1652306242117263D 62 66 0 0 0 0 999 V2000 -5.3742 3.0053 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 1.9011 1.2746 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.6777 0.7118 0.4668 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2104 0.8833 -0.9385 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7796 1.1891 -1.0916 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8351 0.5279 -0.0850 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1360 -0.6347 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -1.2923 -1.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -2.3800 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -2.8800 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 -3.9662 -2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.2500 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.1388 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -0.4847 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 -0.0012 1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -0.4220 1.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8105 -1.3492 1.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -1.4482 0.3958 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9523 -2.6467 -0.0566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6992 -3.4894 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.2417 -0.1653 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0540 -1.2012 -1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -0.1781 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 0.9997 0.3511 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9885 2.0759 0.9067 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3691 3.4030 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 3.8649 2.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 4.1267 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 0.9768 1.0107 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6783 1.6039 2.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.2541 1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -0.2882 1.0911 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8792 -1.6684 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3338 3.0980 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 3.9455 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 3.1172 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7878 1.6443 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7029 0.2998 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 -0.0043 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 1.7186 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 2.3246 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 1.0126 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 1.2977 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -0.9808 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 -2.9110 -3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -4.3353 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -3.2169 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -4.2476 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -2.1561 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 -2.2332 -2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.6283 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -0.7075 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 1.2227 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 2.0593 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 1.7269 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 5.0646 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 1.5596 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 1.2639 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 -0.3182 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -1.7166 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -2.2320 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -2.2298 0.7054 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 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 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 2 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 3 1 0 0 0 0 13 7 1 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 29 16 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 6 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 1 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 11 46 1 0 0 0 0 19 47 1 6 0 0 0 20 48 1 0 0 0 0 21 49 1 6 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 24 53 1 6 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 6 0 0 0 30 58 1 0 0 0 0 32 59 1 1 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > <DATABASE_ID> NP0016109 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]23O[C@@]2(C(=O)C2=C(C(O[H])=C([H])C([H])=C2[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]3([H])O[H])[C@@]1([H])O[H] > <INCHI_IDENTIFIER> InChI=1S/C23H29NO9/c1-9-12(24-3)5-7-14(31-9)11-4-6-13(25)18-17(11)20(29)23-19(28)15(8-16(26)27)32-10(2)22(23,33-23)21(18)30/h4,6,9-10,12,14-15,19,21,24-25,28,30H,5,7-8H2,1-3H3,(H,26,27)/t9-,10-,12+,14-,15-,19+,21+,22+,23-/m1/s1 > <INCHI_KEY> WUEVZLPTHXVTBC-UMHGYDKXSA-N > <FORMULA> C23H29NO9 > <MOLECULAR_WEIGHT> 463.483 > <EXACT_MASS> 463.184231518 > <JCHEM_ACCEPTOR_COUNT> 10 > <JCHEM_ATOM_COUNT> 62 > <JCHEM_AVERAGE_POLARIZABILITY> 46.135489802121555 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 5 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-[(1S,9S,10R,11R,13R,14S)-7,9,14-trihydroxy-11-methyl-4-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.0^{1,10}.0^{3,8}]pentadeca-3(8),4,6-trien-13-yl]acetic acid > <ALOGPS_LOGP> 0.48 > <JCHEM_LOGP> -2.402452675568064 > <ALOGPS_LOGS> -2.28 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 9.048913925791247 > <JCHEM_PKA_STRONGEST_ACIDIC> 3.063790227720726 > <JCHEM_PKA_STRONGEST_BASIC> 9.962961821351518 > <JCHEM_POLAR_SURFACE_AREA> 158.07999999999998 > <JCHEM_REFRACTIVITY> 112.2147 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 2.42e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> [(1S,9S,10R,11R,13R,14S)-7,9,14-trihydroxy-11-methyl-4-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.0^{1,10}.0^{3,8}]pentadeca-3(8),4,6-trien-13-yl]acetic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0016109 (Qinimycin B)RDKit 3D 62 66 0 0 0 0 0 0 0 0999 V2000 -5.3742 3.0053 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 1.9011 1.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 0.7118 0.4668 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2104 0.8833 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 1.1891 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 0.5279 -0.0850 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1360 -0.6347 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -1.2923 -1.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -2.3800 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -2.8800 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 -3.9662 -2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.2500 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.1388 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -0.4847 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 -0.0012 1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -0.4220 1.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8105 -1.3492 1.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -1.4482 0.3958 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9523 -2.6467 -0.0566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6992 -3.4894 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.2417 -0.1653 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0540 -1.2012 -1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -0.1781 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 0.9997 0.3511 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9885 2.0759 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 3.4030 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 3.8649 2.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 4.1267 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 0.9768 1.0107 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6783 1.6039 2.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.2541 1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -0.2882 1.0911 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8792 -1.6684 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3338 3.0980 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 3.9455 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 3.1172 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7878 1.6443 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7029 0.2998 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 -0.0043 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 1.7186 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 2.3246 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 1.0126 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 1.2977 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -0.9808 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 -2.9110 -3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -4.3353 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -3.2169 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -4.2476 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -2.1561 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 -2.2332 -2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.6283 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -0.7075 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 1.2227 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 2.0593 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 1.7269 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 5.0646 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 1.5596 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 1.2639 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 -0.3182 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -1.7166 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -2.2320 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -2.2298 0.7054 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 1 18 17 1 1 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 29 1 0 29 30 1 0 6 31 1 0 31 32 1 0 32 33 1 0 32 3 1 0 13 7 1 0 18 16 1 0 19 12 1 0 29 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 6 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 1 8 44 1 0 9 45 1 0 11 46 1 0 19 47 1 6 20 48 1 0 21 49 1 6 22 50 1 0 22 51 1 0 22 52 1 0 24 53 1 6 25 54 1 0 25 55 1 0 28 56 1 0 29 57 1 6 30 58 1 0 32 59 1 1 33 60 1 0 33 61 1 0 33 62 1 0 M END PDB for NP0016109 (Qinimycin B)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -5.374 3.005 0.874 0.00 0.00 C+0 HETATM 2 N UNK 0 -4.579 1.901 1.275 0.00 0.00 N+0 HETATM 3 C UNK 0 -4.678 0.712 0.467 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.210 0.883 -0.939 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.780 1.189 -1.092 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.835 0.528 -0.085 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.136 -0.635 -0.713 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.623 -1.292 -1.823 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.985 -2.380 -2.369 0.00 0.00 C+0 HETATM 10 C UNK 0 0.188 -2.880 -1.836 0.00 0.00 C+0 HETATM 11 O UNK 0 0.817 -3.966 -2.382 0.00 0.00 O+0 HETATM 12 C UNK 0 0.704 -2.250 -0.735 0.00 0.00 C+0 HETATM 13 C UNK 0 0.033 -1.139 -0.191 0.00 0.00 C+0 HETATM 14 C UNK 0 0.651 -0.485 0.982 0.00 0.00 C+0 HETATM 15 O UNK 0 -0.112 -0.001 1.824 0.00 0.00 O+0 HETATM 16 C UNK 0 2.141 -0.422 1.116 0.00 0.00 C+0 HETATM 17 O UNK 0 2.811 -1.349 1.886 0.00 0.00 O+0 HETATM 18 C UNK 0 2.761 -1.448 0.396 0.00 0.00 C+0 HETATM 19 C UNK 0 1.952 -2.647 -0.057 0.00 0.00 C+0 HETATM 20 O UNK 0 1.699 -3.489 1.038 0.00 0.00 O+0 HETATM 21 C UNK 0 4.129 -1.242 -0.165 0.00 0.00 C+0 HETATM 22 C UNK 0 4.054 -1.201 -1.677 0.00 0.00 C+0 HETATM 23 O UNK 0 4.770 -0.178 0.396 0.00 0.00 O+0 HETATM 24 C UNK 0 4.049 1.000 0.351 0.00 0.00 C+0 HETATM 25 C UNK 0 4.989 2.076 0.907 0.00 0.00 C+0 HETATM 26 C UNK 0 4.369 3.403 0.963 0.00 0.00 C+0 HETATM 27 O UNK 0 4.051 3.865 2.087 0.00 0.00 O+0 HETATM 28 O UNK 0 4.141 4.127 -0.183 0.00 0.00 O+0 HETATM 29 C UNK 0 2.720 0.977 1.011 0.00 0.00 C+0 HETATM 30 O UNK 0 2.678 1.604 2.247 0.00 0.00 O+0 HETATM 31 O UNK 0 -2.478 0.254 1.079 0.00 0.00 O+0 HETATM 32 C UNK 0 -3.697 -0.288 1.091 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.879 -1.668 0.573 0.00 0.00 C+0 HETATM 34 H UNK 0 -6.334 3.098 1.464 0.00 0.00 H+0 HETATM 35 H UNK 0 -4.805 3.946 1.149 0.00 0.00 H+0 HETATM 36 H UNK 0 -5.593 3.117 -0.186 0.00 0.00 H+0 HETATM 37 H UNK 0 -4.788 1.644 2.264 0.00 0.00 H+0 HETATM 38 H UNK 0 -5.703 0.300 0.450 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.578 -0.004 -1.512 0.00 0.00 H+0 HETATM 40 H UNK 0 -4.808 1.719 -1.393 0.00 0.00 H+0 HETATM 41 H UNK 0 -2.690 2.325 -1.020 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.445 1.013 -2.154 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.052 1.298 0.074 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.513 -0.981 -2.295 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.364 -2.911 -3.253 0.00 0.00 H+0 HETATM 46 H UNK 0 1.652 -4.335 -2.005 0.00 0.00 H+0 HETATM 47 H UNK 0 2.621 -3.217 -0.727 0.00 0.00 H+0 HETATM 48 H UNK 0 2.332 -4.248 1.064 0.00 0.00 H+0 HETATM 49 H UNK 0 4.723 -2.156 0.087 0.00 0.00 H+0 HETATM 50 H UNK 0 3.996 -2.233 -2.040 0.00 0.00 H+0 HETATM 51 H UNK 0 4.916 -0.628 -2.113 0.00 0.00 H+0 HETATM 52 H UNK 0 3.116 -0.708 -2.009 0.00 0.00 H+0 HETATM 53 H UNK 0 3.920 1.223 -0.758 0.00 0.00 H+0 HETATM 54 H UNK 0 5.876 2.059 0.206 0.00 0.00 H+0 HETATM 55 H UNK 0 5.416 1.727 1.886 0.00 0.00 H+0 HETATM 56 H UNK 0 3.749 5.065 -0.192 0.00 0.00 H+0 HETATM 57 H UNK 0 1.996 1.560 0.364 0.00 0.00 H+0 HETATM 58 H UNK 0 1.881 1.264 2.720 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.023 -0.318 2.180 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.267 -1.717 -0.462 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.641 -2.232 1.187 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.932 -2.230 0.705 0.00 0.00 H+0 CONECT 1 2 34 35 36 CONECT 2 1 3 37 CONECT 3 2 4 32 38 CONECT 4 3 5 39 40 CONECT 5 4 6 41 42 CONECT 6 5 7 31 43 CONECT 7 6 8 13 CONECT 8 7 9 44 CONECT 9 8 10 45 CONECT 10 9 11 12 CONECT 11 10 46 CONECT 12 10 13 19 CONECT 13 12 14 7 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 18 29 CONECT 17 16 18 CONECT 18 17 19 21 16 CONECT 19 18 20 12 47 CONECT 20 19 48 CONECT 21 18 22 23 49 CONECT 22 21 50 51 52 CONECT 23 21 24 CONECT 24 23 25 29 53 CONECT 25 24 26 54 55 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 56 CONECT 29 24 30 16 57 CONECT 30 29 58 CONECT 31 6 32 CONECT 32 31 33 3 59 CONECT 33 32 60 61 62 CONECT 34 1 CONECT 35 1 CONECT 36 1 CONECT 37 2 CONECT 38 3 CONECT 39 4 CONECT 40 4 CONECT 41 5 CONECT 42 5 CONECT 43 6 CONECT 44 8 CONECT 45 9 CONECT 46 11 CONECT 47 19 CONECT 48 20 CONECT 49 21 CONECT 50 22 CONECT 51 22 CONECT 52 22 CONECT 53 24 CONECT 54 25 CONECT 55 25 CONECT 56 28 CONECT 57 29 CONECT 58 30 CONECT 59 32 CONECT 60 33 CONECT 61 33 CONECT 62 33 MASTER 0 0 0 0 0 0 0 0 62 0 132 0 END SMILES for NP0016109 (Qinimycin B)[H]OC(=O)C([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]23O[C@@]2(C(=O)C2=C(C(O[H])=C([H])C([H])=C2[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]3([H])O[H])[C@@]1([H])O[H] INCHI for NP0016109 (Qinimycin B)InChI=1S/C23H29NO9/c1-9-12(24-3)5-7-14(31-9)11-4-6-13(25)18-17(11)20(29)23-19(28)15(8-16(26)27)32-10(2)22(23,33-23)21(18)30/h4,6,9-10,12,14-15,19,21,24-25,28,30H,5,7-8H2,1-3H3,(H,26,27)/t9-,10-,12+,14-,15-,19+,21+,22+,23-/m1/s1 3D Structure for NP0016109 (Qinimycin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C23H29NO9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 463.4830 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 463.18423 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[(1S,9S,10R,11R,13R,14S)-7,9,14-trihydroxy-11-methyl-4-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.0^{1,10}.0^{3,8}]pentadeca-3(8),4,6-trien-13-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(1S,9S,10R,11R,13R,14S)-7,9,14-trihydroxy-11-methyl-4-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.0^{1,10}.0^{3,8}]pentadeca-3(8),4,6-trien-13-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CN[C@H]1CC[C@@H](O[C@@H]1C)C1=C2C(=O)C34OC3([C@@H](C)O[C@H](CC(O)=O)[C@@H]4O)[C@@H](O)C2=C(O)C=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C23H29NO9/c1-9-12(24-3)5-7-14(31-9)11-4-6-13(25)18-17(11)20(29)23-19(28)15(8-16(26)27)32-10(2)22(23,33-23)21(18)30/h4,6,9-10,12,14-15,19,21,24-25,28,30H,5,7-8H2,1-3H3,(H,26,27)/t9-,10-,12+,14-,15-,19+,21+,22?,23?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | WUEVZLPTHXVTBC-UMHGYDKXSA-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 | NPA022183 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 76800329 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 137657297 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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