HMDB0301640 RDKit 3D (4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoyl-CoA 138141 0 0 0 0 0 0 0 0999 V2000 20.6649 1.6351 2.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6060 0.5778 2.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3739 0.2517 1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9472 1.3367 0.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9771 0.4237 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4565 -0.4504 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4822 -1.8589 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5228 -2.7054 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0816 -2.5907 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5404 -1.2812 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8685 -0.9963 -1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5319 -1.9081 -2.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0134 -1.9232 -2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2894 -1.1874 -1.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 -1.1997 -1.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4098 0.2277 -2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7308 0.4555 -3.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 1.7892 -3.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9444 2.0910 -3.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8617 1.4547 -3.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 0.0902 -2.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 0.3592 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 1.1705 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6735 1.2071 -0.8341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 2.1268 0.5252 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 2.2560 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 1.0040 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 1.2801 0.3738 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 0.3515 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 -0.8147 0.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 0.7428 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 -0.2787 0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 0.1260 0.5237 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 1.3146 1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 2.0152 1.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0006 1.7755 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9976 3.1529 1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0258 1.1147 1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6621 1.4318 3.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3396 1.8278 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1434 -0.3676 1.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4976 -0.7235 0.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 -2.3954 0.0479 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.7838 -2.9431 1.4728 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2581 -3.0151 -0.6054 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0675 -2.8390 -0.7407 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3906 -2.8442 0.3082 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.0339 -4.2100 0.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8681 -2.6351 1.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5349 -1.6817 -0.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2645 -0.9895 -1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2500 0.0751 -1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3589 1.0565 -0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6927 1.4363 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1694 0.9909 0.8448 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2827 0.3139 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3486 0.0976 2.4594 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2409 0.6563 3.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8123 0.7221 4.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6460 0.1103 5.2964 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6719 1.3370 4.6048 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9617 1.8783 3.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3492 1.8308 2.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5010 1.2154 2.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3567 0.9376 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6951 0.9027 -1.6975 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6548 -0.4265 -1.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8193 -0.9724 -3.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6380 -2.4387 -2.8786 P 0 0 0 0 0 5 0 0 0 0 0 0 -13.9204 -3.4922 -3.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6718 -3.0019 -1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2635 -2.3068 -3.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6171 2.3817 2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6518 1.1421 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4810 2.2108 3.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9633 -0.3678 3.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6690 0.8444 3.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0886 -0.4372 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2061 0.6906 1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5158 -0.0752 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1971 -0.2949 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5523 -2.2313 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8830 -3.7545 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6087 -2.9586 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7331 -3.3866 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6541 -0.4557 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5364 0.0679 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 -1.4415 -3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8524 -2.9392 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5471 -2.5463 -3.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6915 -0.5423 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3554 -1.4358 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5073 -1.8671 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7152 0.9841 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4720 -0.3857 -3.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8949 2.0176 -4.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8694 2.5159 -2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 3.1567 -4.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8722 1.9899 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -0.4044 -2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -0.5010 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 -0.6637 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 0.8580 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 3.0599 0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 2.5577 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 0.1811 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 0.6635 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 2.2525 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 0.8722 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 1.7640 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 -0.4189 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 -1.2428 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6688 -0.4629 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2075 1.7505 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3079 3.7165 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 1.7705 3.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2537 0.5231 3.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8744 2.2230 3.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6059 1.8167 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1267 1.2683 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2453 2.8521 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1487 -0.8030 1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8182 -0.8343 2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3562 -3.2902 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1211 -1.7552 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2238 -1.6918 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2463 -0.5556 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9339 0.6078 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6694 2.5667 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0027 -0.0009 0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9545 0.6595 6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9692 -0.8753 5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0271 2.3728 3.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9781 1.5453 -2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0212 0.0546 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0537 -1.0290 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9132 -3.5985 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4017 -1.4590 -3.8857 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 2 3 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 59 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 54 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 69 71 1 0 69 72 1 0 5 3 1 0 67 52 1 0 64 55 1 0 64 58 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 9 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 21100 1 0 21101 1 0 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 36114 1 0 37115 1 0 39116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 0 54129 1 0 56130 1 0 60131 1 0 60132 1 0 62133 1 0 65134 1 0 66135 1 0 67136 1 0 71137 1 0 72138 1 0 M END