HMDB0261939 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)-OH(15S)/20:1(11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 16.0781 5.5374 1.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7502 4.3110 2.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3550 4.3411 2.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2842 4.4224 1.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3298 3.2773 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1840 1.9334 1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8883 1.7355 2.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6568 1.8695 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7196 0.9294 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 -0.0365 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6757 -0.3452 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3567 -0.2482 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -1.1846 -1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 -1.2209 -1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 -1.7564 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -1.8109 -2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 -2.3959 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 -1.5634 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -0.1981 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 -0.2450 -1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4979 0.7748 -2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -1.3901 -1.8789 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -1.4089 -2.8710 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2808 -1.8846 -2.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -1.1546 -1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 -1.0994 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -1.6804 0.2713 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -0.2815 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -1.2996 1.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8565 -1.9829 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7442 -3.0346 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -3.1244 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0036 -2.2631 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6675 -0.9994 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1836 0.1474 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1777 0.2629 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7333 1.0547 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3438 2.1301 2.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5364 2.6363 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1224 3.7473 2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3455 4.3445 2.0118 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3899 4.1263 2.8542 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5309 4.0646 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7511 4.6832 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0411 4.2070 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4178 2.8024 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5762 1.6978 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 -2.3712 -3.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -3.6083 -3.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 -4.7210 -4.4117 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9437 -4.4128 -4.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2413 -4.4503 -5.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 -6.3078 -4.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -6.5859 -2.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 -8.0708 -2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 -8.2421 -1.0582 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0536 5.3892 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2701 6.3944 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2978 5.7449 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4210 4.2628 3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9931 3.3641 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1968 3.4936 3.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2552 5.2770 3.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3082 4.3565 2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3545 5.3710 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4634 3.4177 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2320 3.3207 0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0260 1.7566 2.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 1.1214 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8835 0.7342 2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8748 2.4844 3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 2.9141 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7678 1.7960 1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5747 1.0606 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0828 -0.6561 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6319 0.1581 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7526 -1.4524 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1287 0.7999 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -0.6086 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5954 -2.2195 -0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3416 -0.9554 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 -0.2343 -2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -1.9524 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 -1.1037 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -2.7903 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6301 -0.8349 -2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1378 -2.4646 -2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 -2.5544 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -3.4245 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 -2.0439 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 -1.5353 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4197 0.3257 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 0.3803 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -0.4104 -3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 -2.9680 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 -1.9956 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 0.2867 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 0.3830 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6099 -0.7367 2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4139 -2.0483 2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0265 -2.5439 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2283 -1.2533 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 -3.8731 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4508 -4.0905 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6189 -2.8781 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8193 -2.1222 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9928 -0.9573 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8371 1.0559 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0058 0.8955 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7289 -0.6451 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8126 0.6908 2.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9283 2.6651 3.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0125 2.1996 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6767 4.2105 3.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1472 5.4749 2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2250 3.5104 3.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6022 4.4953 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4882 2.9985 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6933 5.8125 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7522 4.4772 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8383 4.9067 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2274 4.4171 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6906 2.6350 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4419 2.6666 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2410 0.8005 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9511 1.2491 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9846 1.8619 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 -1.9623 -4.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.3705 -4.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4099 -4.4177 -6.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 -6.2446 -2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 -6.0426 -2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -8.5249 -2.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 -8.5696 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -8.4363 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -7.3527 -0.7129 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 6 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 52130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 M END