HMDB0285961 RDKit 3D PC(16:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 133132 0 0 0 0 0 0 0 0999 V2000 -6.5718 -2.6456 -1.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8202 -2.5296 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8983 -1.5556 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7291 -0.4557 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4668 -0.0339 1.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7502 0.0902 2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5952 1.1932 3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1264 2.4663 2.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8759 2.8973 3.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 3.1016 2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5013 2.9234 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 1.8912 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 2.1896 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 3.5264 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 3.7905 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 5.1479 -1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 5.3285 -2.4323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 5.4707 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 5.3807 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4255 4.0542 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 3.1021 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5778 3.1978 0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 2.1155 -0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 1.2649 -0.8587 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6518 1.3812 -2.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.1291 -3.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 1.6854 -3.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1993 2.6175 -2.9347 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 1.3684 -4.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 0.0413 -5.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 -0.4247 -4.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8344 -0.6685 -2.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 -1.1334 -1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 -1.4503 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -1.8794 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -2.2522 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3891 -1.1473 2.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.6808 3.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 -0.6928 4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -0.2696 4.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.7228 4.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 1.1021 4.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 2.0736 4.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -0.1551 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -1.0092 -0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 -2.5840 -0.3057 P 0 0 0 0 0 5 0 0 0 0 0 0 5.9807 -3.0014 0.4542 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -2.6636 0.8337 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5310 -3.6885 -1.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -4.7641 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 -5.7583 -2.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -6.8762 -1.9876 N 0 0 0 0 0 4 0 0 0 0 0 0 3.3942 -8.0863 -2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -7.0748 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -6.8338 -2.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4134 -1.6720 -2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3479 -3.2812 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6121 -3.2101 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1838 -3.5761 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9096 -2.3991 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8665 -1.8090 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5895 0.2133 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0687 0.8838 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -0.7716 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1096 -0.7817 3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8194 1.2376 4.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9256 3.2311 3.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1694 2.5750 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0069 3.0432 4.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8854 3.4203 3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 3.8878 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 2.5219 1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 0.8575 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 1.3516 0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 4.4083 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 2.9329 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 5.8702 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 5.9733 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 4.9769 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 6.5766 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 5.8573 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 6.0304 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 4.2797 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 3.5914 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 1.6046 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 2.4258 -2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 0.7086 -2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4657 1.6602 -5.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 2.1791 -4.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -0.7036 -5.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -0.0255 -6.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -1.3776 -4.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 0.2924 -3.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.4765 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.2222 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 -2.0044 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 -0.3004 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6929 -0.5377 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0611 -2.2066 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.0959 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -2.7899 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -2.4745 2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -3.1693 1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.2645 2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 -0.8233 2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -2.0186 4.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 -2.6130 3.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -1.1691 5.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 0.2015 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -1.1536 3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 0.1853 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 0.1818 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 1.5658 5.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 0.1804 3.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 1.5588 3.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8075 1.8509 5.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 3.1389 4.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 1.9321 4.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 -0.1393 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 -0.4873 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 -4.3419 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 -5.2577 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 -6.1187 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -5.2218 -3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 -7.9622 -3.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 -8.8693 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -8.4325 -1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -7.4781 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -6.1458 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -7.8389 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 -5.9393 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -6.9620 -3.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -7.7146 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 24 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 1 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 53125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M CHG 2 48 -1 52 1 M END