HMDB0273662 RDKit 3D PGP(20:4(5Z,8Z,11Z,14Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 138137 0 0 0 0 0 0 0 0999 V2000 -3.7118 1.9706 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8556 1.2596 2.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8368 1.9112 3.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2333 2.0067 2.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7335 0.6036 2.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0867 0.5586 2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4100 0.0695 0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4306 -0.4799 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7264 -0.9916 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0789 -1.0623 -1.7739 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3107 -2.3259 -2.3944 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1695 -0.0785 -2.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1329 -0.5455 -3.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1237 0.1489 -4.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9032 1.5408 -3.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6196 1.8182 -3.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7042 2.6365 -3.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 2.9733 -3.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 2.5073 -4.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 2.8350 -3.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 2.3207 -2.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 1.7174 -1.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 2.5083 -1.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2518 2.0336 -0.6623 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0469 3.1421 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 3.0050 1.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 2.8499 2.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 2.7954 2.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 2.7479 3.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 2.8198 4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.6724 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7341 1.8596 4.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7058 1.8581 3.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 1.6570 1.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 0.6210 1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 -0.4718 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 -0.9116 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 -2.2969 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 -2.7614 1.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 -1.8903 2.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -1.9502 4.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -2.3210 5.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -2.7180 4.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.7686 5.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 -2.0477 5.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -1.9457 4.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -2.2401 4.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 0.8690 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 -0.1009 -1.6837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 -1.4074 -2.1361 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7776 -2.2942 -3.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 -2.2643 -0.7357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 -0.9412 -2.8897 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 -2.0051 -3.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8963 -1.5703 -4.1283 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7731 -0.9620 -3.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 -2.8141 -4.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 -3.7291 -3.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 -5.1046 -4.4804 P 0 0 0 0 0 5 0 0 0 0 0 0 6.3820 -6.0882 -4.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2263 -4.6147 -5.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6165 -5.8689 -3.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 2.6948 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 1.1992 0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6068 2.5586 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 0.1780 2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 1.2751 2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 2.9006 3.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 1.2318 4.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8629 2.4119 3.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2929 2.6626 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 0.0075 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7414 0.1224 3.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9033 0.9725 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4825 0.0985 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3619 -0.4733 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8699 -1.3707 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8911 -0.8371 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9831 -3.0354 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1602 -0.3428 -3.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1237 0.9400 -2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 -1.5970 -4.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4452 -0.3801 -5.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7579 2.0353 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 2.1169 -4.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4101 1.3370 -2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 3.0974 -4.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3219 4.0811 -2.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 2.4447 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 2.8988 -5.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 1.3943 -4.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 3.9419 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 2.3961 -4.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 1.5916 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 3.3897 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 4.0839 -0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 3.5567 4.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 1.8011 4.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 2.8136 5.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 3.7912 3.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 1.5046 2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9613 0.7903 4.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 2.0113 5.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 2.0235 3.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 1.6319 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 2.6383 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 0.8113 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -1.1729 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9396 -0.2820 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -1.0542 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2818 -3.0419 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -3.8073 2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -0.8291 2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 -2.2363 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 -1.6614 4.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -2.3583 6.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 -2.8461 3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 -3.7089 5.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -1.8729 6.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.7441 5.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 -1.2904 6.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -3.0380 5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 -2.7160 3.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -0.9613 3.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 -1.2854 4.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 -2.9600 4.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -2.7000 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 1.2393 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 0.4397 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -3.2010 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9818 -2.4580 -4.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8184 -2.8294 -2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 -0.8703 -4.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 0.0098 -3.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 -3.2871 -5.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4027 -2.5623 -5.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2093 -4.5225 -5.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 -5.9951 -3.9078 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 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 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 10 78 1 1 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 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 6 56134 1 0 57135 1 0 57136 1 0 61137 1 0 62138 1 0 M END