Showing NP-Card for Chainin (NP0021523)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 06:48:54 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:36:35 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0021523 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Chainin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Chainin is found in Streptomyces sp. It was first documented in 1972 (PMID: 5036646). Based on a literature review a significant number of articles have been published on TPU-0043 (PMID: 34606198) (PMID: 34606201) (PMID: 34606200) (PMID: 34606199). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0021523 (Chainin)Mrv1652307042108003D 97 97 0 0 0 0 999 V2000 6.9483 -0.8403 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 0.1534 0.1637 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8508 0.1358 -0.7736 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6603 0.4722 0.0741 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3603 0.5084 -0.6522 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2961 1.4988 -1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 1.2866 -2.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.5391 -1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 3.6601 -0.8936 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5938 4.0105 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 3.6700 0.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4449 3.0102 1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 5.0970 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 5.7865 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 5.3784 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 4.8350 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 4.5144 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 3.4474 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 2.3209 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 1.5728 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 1.8019 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 1.5979 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.8903 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 1.0718 0.6475 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8904 1.8564 1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 -0.3314 0.3509 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1059 -1.2683 1.5206 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1014 -0.8262 2.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 -2.6541 0.9575 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4607 -2.9589 0.6162 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1428 -2.5726 -0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 -4.4774 0.6495 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9891 -4.8162 -0.1470 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0622 -6.1091 -0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -4.6712 0.7028 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4628 -4.8075 -0.1942 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8899 -6.1265 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -4.0243 0.3440 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5261 -2.6099 -0.2049 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0723 -2.6642 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -1.9183 -0.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9723 -0.8457 -1.2281 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7530 -1.1957 -2.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 -1.3605 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -1.6351 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -0.3303 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9879 -0.0499 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 1.1864 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.9207 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -0.8249 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 1.4797 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -0.2070 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 0.7222 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 4.5277 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 3.5470 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 3.7298 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 5.1123 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 3.1988 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 3.6655 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 5.6217 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 6.8612 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 5.5924 -1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 4.6405 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 5.2147 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 3.3811 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 2.0285 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.7570 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 2.1418 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 1.6504 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 2.9367 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 1.2468 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 1.0789 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9033 2.0906 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -0.7318 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3703 -0.2711 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0594 -1.3547 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 -0.6982 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -2.7381 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 -3.4480 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -2.5367 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -2.1231 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -4.8003 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -5.0298 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -4.1109 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 -6.7429 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -5.4527 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -3.6643 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -4.4292 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -6.5164 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -4.4227 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -3.9607 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 -2.0125 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -3.1093 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -1.6001 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.7159 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -0.7042 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -2.1488 -2.3598 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 5 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 1 0 0 0 9 54 1 6 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 58 1 6 0 0 0 12 59 1 0 0 0 0 13 60 1 0 0 0 0 14 61 1 0 0 0 0 15 62 1 0 0 0 0 16 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 0 0 0 0 21 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 72 1 1 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 1 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 80 1 1 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 84 1 6 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 88 1 6 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 1 0 0 0 40 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 6 0 0 0 43 97 1 0 0 0 0 M END 3D MOL for NP0021523 (Chainin)RDKit 3D 97 97 0 0 0 0 0 0 0 0999 V2000 6.9483 -0.8403 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 0.1534 0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 0.1358 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 0.4722 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 0.5084 -0.6522 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2961 1.4988 -1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 1.2866 -2.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.5391 -1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 3.6601 -0.8936 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5938 4.0105 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 3.6700 0.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4449 3.0102 1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 5.0970 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 5.7865 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 5.3784 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 4.8350 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 4.5144 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 3.4474 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 2.3209 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 1.5728 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 1.8019 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 1.5979 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.8903 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 1.0718 0.6475 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8904 1.8564 1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 -0.3314 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 -1.2683 1.5206 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1014 -0.8262 2.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 -2.6541 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 -2.9589 0.6162 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1428 -2.5726 -0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 -4.4774 0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 -4.8162 -0.1470 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0622 -6.1091 -0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -4.6712 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 -4.8075 -0.1942 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8899 -6.1265 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -4.0243 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 -2.6099 -0.2049 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0723 -2.6642 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -1.9183 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -0.8457 -1.2281 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7530 -1.1957 -2.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 -1.3605 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -1.6351 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -0.3303 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9879 -0.0499 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 1.1864 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.9207 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -0.8249 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 1.4797 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -0.2070 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 0.7222 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 4.5277 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 3.5470 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 3.7298 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 5.1123 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 3.1988 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 3.6655 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 5.6217 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 6.8612 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 5.5924 -1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 4.6405 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 5.2147 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 3.3811 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 2.0285 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.7570 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 2.1418 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 1.6504 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 2.9367 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 1.2468 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 1.0789 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9033 2.0906 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -0.7318 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3703 -0.2711 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0594 -1.3547 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 -0.6982 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -2.7381 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 -3.4480 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -2.5367 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -2.1231 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -4.8003 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -5.0298 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -4.1109 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 -6.7429 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -5.4527 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -3.6643 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -4.4292 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -6.5164 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -4.4227 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -3.9607 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 -2.0125 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -3.1093 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -1.6001 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.7159 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -0.7042 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -2.1488 -2.3598 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 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 42 5 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 1 9 54 1 6 10 55 1 0 10 56 1 0 10 57 1 0 11 58 1 6 12 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 19 66 1 0 20 67 1 0 21 68 1 0 23 69 1 0 23 70 1 0 23 71 1 0 24 72 1 1 25 73 1 0 26 74 1 0 26 75 1 0 27 76 1 1 28 77 1 0 29 78 1 0 29 79 1 0 30 80 1 1 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 6 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 6 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 1 40 93 1 0 41 94 1 0 41 95 1 0 42 96 1 6 43 97 1 0 M END 3D SDF for NP0021523 (Chainin)Mrv1652307042108003D 97 97 0 0 0 0 999 V2000 6.9483 -0.8403 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 0.1534 0.1637 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8508 0.1358 -0.7736 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6603 0.4722 0.0741 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3603 0.5084 -0.6522 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2961 1.4988 -1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 1.2866 -2.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.5391 -1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 3.6601 -0.8936 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5938 4.0105 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 3.6700 0.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4449 3.0102 1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 5.0970 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 5.7865 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 5.3784 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 4.8350 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 4.5144 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 3.4474 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 2.3209 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 1.5728 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 1.8019 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 1.5979 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.8903 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 1.0718 0.6475 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8904 1.8564 1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 -0.3314 0.3509 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1059 -1.2683 1.5206 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1014 -0.8262 2.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 -2.6541 0.9575 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4607 -2.9589 0.6162 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1428 -2.5726 -0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 -4.4774 0.6495 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9891 -4.8162 -0.1470 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0622 -6.1091 -0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -4.6712 0.7028 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4628 -4.8075 -0.1942 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8899 -6.1265 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -4.0243 0.3440 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5261 -2.6099 -0.2049 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0723 -2.6642 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -1.9183 -0.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9723 -0.8457 -1.2281 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7530 -1.1957 -2.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 -1.3605 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -1.6351 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -0.3303 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9879 -0.0499 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 1.1864 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.9207 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -0.8249 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 1.4797 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -0.2070 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 0.7222 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 4.5277 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 3.5470 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 3.7298 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 5.1123 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 3.1988 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 3.6655 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 5.6217 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 6.8612 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 5.5924 -1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 4.6405 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 5.2147 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 3.3811 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 2.0285 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.7570 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 2.1418 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 1.6504 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 2.9367 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 1.2468 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 1.0789 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9033 2.0906 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -0.7318 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3703 -0.2711 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0594 -1.3547 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 -0.6982 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -2.7381 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 -3.4480 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -2.5367 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -2.1231 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -4.8003 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -5.0298 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -4.1109 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 -6.7429 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -5.4527 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -3.6643 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -4.4292 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -6.5164 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -4.4227 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -3.9607 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 -2.0125 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -3.1093 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -1.6001 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.7159 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -0.7042 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -2.1488 -2.3598 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 5 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 1 0 0 0 9 54 1 6 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 58 1 6 0 0 0 12 59 1 0 0 0 0 13 60 1 0 0 0 0 14 61 1 0 0 0 0 15 62 1 0 0 0 0 16 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 0 0 0 0 21 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 72 1 1 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 1 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 80 1 1 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 84 1 6 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 88 1 6 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 1 0 0 0 40 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 6 0 0 0 43 97 1 0 0 0 0 M END > <DATABASE_ID> NP0021523 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@]1([H])\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(O[H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6-,10-8-,11-9-,15-12-,22-13-/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1 > <INCHI_KEY> QAPUWNJNUGPVPM-HBQFKUIWSA-N > <FORMULA> C33H54O10 > <MOLECULAR_WEIGHT> 610.785 > <EXACT_MASS> 610.371697939 > <JCHEM_ACCEPTOR_COUNT> 9 > <JCHEM_ATOM_COUNT> 97 > <JCHEM_AVERAGE_POLARIZABILITY> 66.56813270326045 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 8 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,4S,6S,8S,10R,12R,14R,16S,17Z,19Z,21Z,23Z,25Z,27S,28R)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one > <ALOGPS_LOGP> 1.08 > <JCHEM_LOGP> 0.35067593500000077 > <ALOGPS_LOGS> -3.47 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 14.138387793209215 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.598145620190412 > <JCHEM_PKA_STRONGEST_BASIC> -2.7576731213599146 > <JCHEM_POLAR_SURFACE_AREA> 188.14 > <JCHEM_REFRACTIVITY> 171.1168 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.06e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,4S,6S,8S,10R,12R,14R,16S,17Z,19Z,21Z,23Z,25Z,27S,28R)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0021523 (Chainin)RDKit 3D 97 97 0 0 0 0 0 0 0 0999 V2000 6.9483 -0.8403 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 0.1534 0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 0.1358 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 0.4722 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 0.5084 -0.6522 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2961 1.4988 -1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 1.2866 -2.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.5391 -1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 3.6601 -0.8936 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5938 4.0105 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 3.6700 0.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4449 3.0102 1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 5.0970 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 5.7865 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 5.3784 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 4.8350 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 4.5144 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 3.4474 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 2.3209 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 1.5728 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 1.8019 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 1.5979 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.8903 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 1.0718 0.6475 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8904 1.8564 1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 -0.3314 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 -1.2683 1.5206 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1014 -0.8262 2.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 -2.6541 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 -2.9589 0.6162 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1428 -2.5726 -0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 -4.4774 0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 -4.8162 -0.1470 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0622 -6.1091 -0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -4.6712 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 -4.8075 -0.1942 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8899 -6.1265 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -4.0243 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 -2.6099 -0.2049 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0723 -2.6642 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -1.9183 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -0.8457 -1.2281 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7530 -1.1957 -2.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 -1.3605 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -1.6351 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -0.3303 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9879 -0.0499 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 1.1864 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.9207 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -0.8249 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 1.4797 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -0.2070 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 0.7222 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 4.5277 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 3.5470 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 3.7298 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 5.1123 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 3.1988 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 3.6655 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 5.6217 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 6.8612 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 5.5924 -1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 4.6405 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 5.2147 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 3.3811 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 2.0285 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.7570 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 2.1418 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 1.6504 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 2.9367 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 1.2468 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 1.0789 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9033 2.0906 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -0.7318 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3703 -0.2711 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0594 -1.3547 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 -0.6982 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -2.7381 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 -3.4480 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -2.5367 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -2.1231 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -4.8003 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -5.0298 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -4.1109 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 -6.7429 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -5.4527 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -3.6643 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -4.4292 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -6.5164 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -4.4227 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -3.9607 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 -2.0125 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -3.1093 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -1.6001 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.7159 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -0.7042 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -2.1488 -2.3598 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 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 42 5 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 1 9 54 1 6 10 55 1 0 10 56 1 0 10 57 1 0 11 58 1 6 12 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 19 66 1 0 20 67 1 0 21 68 1 0 23 69 1 0 23 70 1 0 23 71 1 0 24 72 1 1 25 73 1 0 26 74 1 0 26 75 1 0 27 76 1 1 28 77 1 0 29 78 1 0 29 79 1 0 30 80 1 1 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 6 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 6 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 1 40 93 1 0 41 94 1 0 41 95 1 0 42 96 1 6 43 97 1 0 M END PDB for NP0021523 (Chainin)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 6.948 -0.840 1.276 0.00 0.00 C+0 HETATM 2 C UNK 0 7.066 0.153 0.164 0.00 0.00 C+0 HETATM 3 C UNK 0 5.851 0.136 -0.774 0.00 0.00 C+0 HETATM 4 C UNK 0 4.660 0.472 0.074 0.00 0.00 C+0 HETATM 5 C UNK 0 3.360 0.508 -0.652 0.00 0.00 C+0 HETATM 6 C UNK 0 3.296 1.499 -1.756 0.00 0.00 C+0 HETATM 7 O UNK 0 4.084 1.287 -2.717 0.00 0.00 O+0 HETATM 8 O UNK 0 2.436 2.539 -1.691 0.00 0.00 O+0 HETATM 9 C UNK 0 2.366 3.660 -0.894 0.00 0.00 C+0 HETATM 10 C UNK 0 3.594 4.011 -0.125 0.00 0.00 C+0 HETATM 11 C UNK 0 1.147 3.670 0.045 0.00 0.00 C+0 HETATM 12 O UNK 0 1.445 3.010 1.227 0.00 0.00 O+0 HETATM 13 C UNK 0 0.876 5.097 0.399 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.164 5.787 -0.001 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.255 5.378 -0.831 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.416 4.835 -0.491 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.879 4.514 0.827 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.624 3.447 1.550 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.796 2.321 1.165 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.925 1.573 0.094 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.971 1.802 -0.876 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.250 1.598 -0.635 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.224 1.890 -1.757 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.805 1.072 0.648 0.00 0.00 C+0 HETATM 25 O UNK 0 -5.890 1.856 1.010 0.00 0.00 O+0 HETATM 26 C UNK 0 -5.303 -0.331 0.351 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.106 -1.268 1.521 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.101 -0.826 2.348 0.00 0.00 O+0 HETATM 29 C UNK 0 -4.886 -2.654 0.958 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.461 -2.959 0.616 0.00 0.00 C+0 HETATM 31 O UNK 0 -3.143 -2.573 -0.693 0.00 0.00 O+0 HETATM 32 C UNK 0 -3.227 -4.477 0.650 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.989 -4.816 -0.147 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.062 -6.109 -0.641 0.00 0.00 O+0 HETATM 35 C UNK 0 -0.734 -4.671 0.703 0.00 0.00 C+0 HETATM 36 C UNK 0 0.463 -4.808 -0.194 0.00 0.00 C+0 HETATM 37 O UNK 0 0.890 -6.127 -0.332 0.00 0.00 O+0 HETATM 38 C UNK 0 1.638 -4.024 0.344 0.00 0.00 C+0 HETATM 39 C UNK 0 1.526 -2.610 -0.205 0.00 0.00 C+0 HETATM 40 O UNK 0 1.072 -2.664 -1.510 0.00 0.00 O+0 HETATM 41 C UNK 0 2.896 -1.918 -0.194 0.00 0.00 C+0 HETATM 42 C UNK 0 2.972 -0.846 -1.228 0.00 0.00 C+0 HETATM 43 O UNK 0 3.753 -1.196 -2.327 0.00 0.00 O+0 HETATM 44 H UNK 0 7.929 -1.361 1.484 0.00 0.00 H+0 HETATM 45 H UNK 0 6.221 -1.635 1.098 0.00 0.00 H+0 HETATM 46 H UNK 0 6.652 -0.330 2.230 0.00 0.00 H+0 HETATM 47 H UNK 0 7.988 -0.050 -0.412 0.00 0.00 H+0 HETATM 48 H UNK 0 7.153 1.186 0.587 0.00 0.00 H+0 HETATM 49 H UNK 0 6.059 0.921 -1.527 0.00 0.00 H+0 HETATM 50 H UNK 0 5.805 -0.825 -1.278 0.00 0.00 H+0 HETATM 51 H UNK 0 4.839 1.480 0.509 0.00 0.00 H+0 HETATM 52 H UNK 0 4.553 -0.207 0.930 0.00 0.00 H+0 HETATM 53 H UNK 0 2.571 0.722 0.127 0.00 0.00 H+0 HETATM 54 H UNK 0 2.153 4.528 -1.591 0.00 0.00 H+0 HETATM 55 H UNK 0 3.664 3.547 0.881 0.00 0.00 H+0 HETATM 56 H UNK 0 4.482 3.730 -0.766 0.00 0.00 H+0 HETATM 57 H UNK 0 3.652 5.112 -0.031 0.00 0.00 H+0 HETATM 58 H UNK 0 0.341 3.199 -0.493 0.00 0.00 H+0 HETATM 59 H UNK 0 1.869 3.666 1.835 0.00 0.00 H+0 HETATM 60 H UNK 0 1.607 5.622 1.061 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.100 6.861 0.361 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.165 5.592 -1.934 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.151 4.641 -1.330 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.594 5.215 1.359 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.074 3.381 2.575 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.967 2.029 1.847 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.183 0.757 -0.082 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.714 2.142 -1.908 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.780 1.650 -2.730 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.592 2.937 -1.693 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.130 1.247 -1.653 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.093 1.079 1.478 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.903 2.091 1.958 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.684 -0.732 -0.477 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.370 -0.271 0.110 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.059 -1.355 2.123 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.250 -0.698 1.901 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.469 -2.738 -0.008 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.323 -3.448 1.603 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.710 -2.537 1.299 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.262 -2.123 -0.732 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.020 -4.800 1.695 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.104 -5.030 0.283 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.856 -4.111 -1.002 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.489 -6.743 -0.134 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.684 -5.453 1.486 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.714 -3.664 1.166 0.00 0.00 H+0 HETATM 88 H UNK 0 0.189 -4.429 -1.204 0.00 0.00 H+0 HETATM 89 H UNK 0 1.151 -6.516 0.538 0.00 0.00 H+0 HETATM 90 H UNK 0 2.598 -4.423 -0.059 0.00 0.00 H+0 HETATM 91 H UNK 0 1.648 -3.961 1.451 0.00 0.00 H+0 HETATM 92 H UNK 0 0.784 -2.013 0.378 0.00 0.00 H+0 HETATM 93 H UNK 0 1.781 -3.109 -2.070 0.00 0.00 H+0 HETATM 94 H UNK 0 3.070 -1.600 0.834 0.00 0.00 H+0 HETATM 95 H UNK 0 3.640 -2.716 -0.481 0.00 0.00 H+0 HETATM 96 H UNK 0 1.930 -0.704 -1.641 0.00 0.00 H+0 HETATM 97 H UNK 0 3.981 -2.149 -2.360 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 47 48 CONECT 3 2 4 49 50 CONECT 4 3 5 51 52 CONECT 5 4 6 42 53 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 11 54 CONECT 10 9 55 56 57 CONECT 11 9 12 13 58 CONECT 12 11 59 CONECT 13 11 14 60 CONECT 14 13 15 61 CONECT 15 14 16 62 CONECT 16 15 17 63 CONECT 17 16 18 64 CONECT 18 17 19 65 CONECT 19 18 20 66 CONECT 20 19 21 67 CONECT 21 20 22 68 CONECT 22 21 23 24 CONECT 23 22 69 70 71 CONECT 24 22 25 26 72 CONECT 25 24 73 CONECT 26 24 27 74 75 CONECT 27 26 28 29 76 CONECT 28 27 77 CONECT 29 27 30 78 79 CONECT 30 29 31 32 80 CONECT 31 30 81 CONECT 32 30 33 82 83 CONECT 33 32 34 35 84 CONECT 34 33 85 CONECT 35 33 36 86 87 CONECT 36 35 37 38 88 CONECT 37 36 89 CONECT 38 36 39 90 91 CONECT 39 38 40 41 92 CONECT 40 39 93 CONECT 41 39 42 94 95 CONECT 42 41 43 5 96 CONECT 43 42 97 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 2 CONECT 49 3 CONECT 50 3 CONECT 51 4 CONECT 52 4 CONECT 53 5 CONECT 54 9 CONECT 55 10 CONECT 56 10 CONECT 57 10 CONECT 58 11 CONECT 59 12 CONECT 60 13 CONECT 61 14 CONECT 62 15 CONECT 63 16 CONECT 64 17 CONECT 65 18 CONECT 66 19 CONECT 67 20 CONECT 68 21 CONECT 69 23 CONECT 70 23 CONECT 71 23 CONECT 72 24 CONECT 73 25 CONECT 74 26 CONECT 75 26 CONECT 76 27 CONECT 77 28 CONECT 78 29 CONECT 79 29 CONECT 80 30 CONECT 81 31 CONECT 82 32 CONECT 83 32 CONECT 84 33 CONECT 85 34 CONECT 86 35 CONECT 87 35 CONECT 88 36 CONECT 89 37 CONECT 90 38 CONECT 91 38 CONECT 92 39 CONECT 93 40 CONECT 94 41 CONECT 95 41 CONECT 96 42 CONECT 97 43 MASTER 0 0 0 0 0 0 0 0 97 0 194 0 END SMILES for NP0021523 (Chainin)[H]O[C@]1([H])\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(O[H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0021523 (Chainin)InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6-,10-8-,11-9-,15-12-,22-13-/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1 3D Structure for NP0021523 (Chainin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C33H54O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 610.7850 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 610.37170 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,4S,6S,8S,10R,12R,14R,16S,17Z,19Z,21Z,23Z,25Z,27S,28R)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,4S,6S,8S,10R,12R,14R,16S,17Z,19Z,21Z,23Z,25Z,27S,28R)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCC[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)\C(C)=C/C=C\C=C/C=C\C=C/[C@H](O)[C@@H](C)OC1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6-,10-8-,11-9-,15-12-,22-13-/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | QAPUWNJNUGPVPM-HBQFKUIWSA-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 | NPA019303 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 101768801 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|