HMDB0288477 RDKit 3D PC(18:3(9,11,15)-OH(13)/22:5(7Z,10Z,13Z,16Z,19Z)) 139138 0 0 0 0 0 0 0 0999 V2000 2.2688 -4.0288 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 -3.6662 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 -4.6190 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3001 -5.3611 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3567 -5.3165 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 -4.8961 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3527 -4.4020 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 -4.1434 2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 -4.9765 3.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8251 -4.5299 4.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 -3.1783 4.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4516 -1.9980 4.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1561 -0.9952 3.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -1.0271 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -1.0653 2.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0782 -0.2466 1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6674 0.8971 2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6064 2.1658 1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5385 2.9954 1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 2.6678 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 1.7050 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5589 2.2200 1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9507 2.8842 2.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 1.9223 1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 2.2548 2.3083 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2593 3.3203 1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 3.0398 0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 2.8550 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 2.9594 -0.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 2.5455 -1.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 2.6598 -3.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 4.0442 -3.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 5.0229 -3.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 4.6049 -4.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 4.5959 -6.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 4.0866 -7.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 2.7152 -6.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8944 2.2812 -6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 0.8772 -6.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 0.3979 -6.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 -1.0366 -5.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 -1.8308 -6.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -1.3009 -4.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -0.4127 -3.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8945 -0.8334 -2.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6794 0.1197 -1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1630 -0.1341 -2.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 1.1057 2.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 1.7263 3.6838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 0.6346 4.3582 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8088 0.9902 5.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 -0.9245 4.2027 O 0 0 0 0 0 1 0 0 0 0 0 0 3.2058 0.7825 3.6519 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4396 2.0953 3.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 2.3007 2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 1.9987 3.4292 N 0 0 0 0 0 4 0 0 0 0 0 0 5.9210 0.6787 3.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1146 2.1768 2.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0005 2.9934 4.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9797 -4.6329 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -3.1100 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9787 -4.6196 -2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -2.6755 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1925 -3.3665 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -4.7049 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 -6.0597 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 -4.8032 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -6.4134 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 -5.0214 -1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4202 -4.1394 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 -4.4253 1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -3.0454 2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -6.0893 2.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2803 -5.3269 4.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -3.1247 5.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0875 -3.0681 4.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -1.8562 3.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.1679 3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0942 -1.7730 4.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -0.0397 3.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8452 -1.8913 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3662 -0.4799 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3066 1.0325 3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7987 0.6473 2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3035 2.8871 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3458 2.0592 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 3.5646 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 3.9398 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 3.6363 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 2.4153 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6669 0.6491 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7829 1.7244 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 2.7646 3.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 4.2672 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 3.4781 2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 1.4746 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 3.1669 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 2.2082 -3.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 2.0342 -2.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 3.9891 -4.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 4.4178 -2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 6.0614 -3.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0728 4.9787 -2.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 5.3303 -4.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 3.6089 -4.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 4.0349 -5.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 5.6475 -6.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 4.1444 -8.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 4.7349 -7.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 1.9773 -6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 3.0148 -6.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 0.2173 -6.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 1.0523 -6.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6785 -1.3096 -6.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -2.4540 -6.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 -2.3491 -4.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 -1.0773 -4.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 0.6595 -3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 -1.8820 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4012 -0.0185 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 1.1518 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5235 0.3372 -3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7634 0.3210 -1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 -1.2089 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 0.5403 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 0.5262 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 2.8169 4.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 2.3376 2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8572 3.3811 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 1.6791 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 0.3582 4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -0.0448 3.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5294 0.6361 5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 1.1843 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 2.8485 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9752 2.5171 3.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 2.8969 5.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9504 2.9475 5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 3.9743 3.9698 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 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 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 2 0 45 46 1 0 46 47 1 0 25 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 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END