HMDB0285486 RDKit 3D PE(20:4(6E,8Z,11Z,14Z)-OH(5S)/P-18:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 -13.3638 3.5416 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3656 2.1664 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7044 1.5051 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2064 1.3695 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3777 0.5986 1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0462 -0.7501 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8390 -1.2371 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6117 -0.5691 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5470 -0.3988 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9375 0.7029 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2342 1.9886 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3004 2.7747 1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1056 2.5311 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3886 1.3099 1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1444 1.1319 1.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 -0.1421 1.4305 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3702 -0.8822 2.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9953 -0.9941 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 -2.2693 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0178 -2.3124 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -1.9648 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -1.8286 1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -1.7531 -0.4966 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -1.4155 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 -1.2495 -0.7388 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7601 -2.4663 -1.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 -3.6059 -0.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -4.9525 -1.9521 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1493 -5.1848 -2.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -4.5855 -3.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 -6.3272 -1.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -6.4303 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -7.6801 0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 -8.8194 0.0296 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 -0.9400 -0.0749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -0.7724 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 -1.0239 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -0.8860 -1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -0.1693 -2.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 1.2461 -2.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 2.3060 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9429 2.3522 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1723 1.4875 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0322 1.9264 -2.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2411 2.3310 -2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9593 2.4314 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3916 3.8607 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1210 4.0518 0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3727 3.1644 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1495 3.3693 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3961 2.6112 2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3053 1.1314 2.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7943 0.5205 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3653 4.0151 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6215 4.2092 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0906 3.5173 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0635 2.3125 -2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5999 1.4855 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5917 0.4994 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4726 2.0329 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1940 0.8163 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4628 2.3777 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4415 1.1964 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8860 0.6415 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9093 -1.3906 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7352 -2.2957 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1545 -1.3186 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7695 0.3121 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2055 -1.3274 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1878 0.6258 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4943 2.6511 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2034 1.9945 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6908 3.8029 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 3.3095 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8309 0.5017 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6673 1.9339 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3657 0.2121 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -0.2301 3.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1347 -0.3919 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0767 -1.2773 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.7269 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4917 -3.0157 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9864 -1.6676 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -3.3574 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.2936 0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -0.5615 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 -0.3347 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -2.6105 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 -2.2795 -2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -4.1527 -2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -5.5339 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 -6.4315 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -7.6626 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 -7.7628 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 -8.7209 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 -9.6780 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9284 -0.4313 -1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3757 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2082 -0.4405 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -1.9334 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6581 -0.7727 -2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 -0.3516 -2.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 1.4912 -3.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1747 1.4287 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7037 2.4446 -2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 3.3405 -2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2713 3.4060 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4133 2.0071 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8837 0.4621 -1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7004 1.4007 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6032 1.8904 -3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8094 2.6406 -2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4934 2.0217 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 1.8581 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5138 4.5369 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0356 4.1426 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4310 5.0952 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5086 3.7526 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9687 3.3454 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9387 2.1319 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3544 4.4781 2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 3.0494 2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9544 2.9747 3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0551 2.9179 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3387 0.7165 2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6890 0.7581 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8026 0.0327 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4655 -0.3808 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8396 1.1359 -0.0452 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 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 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 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 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 6 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 0 24 86 1 0 25 87 1 6 26 88 1 0 26 89 1 0 30 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END