HMDB0062246 RDKit 3D 8Z,11Z-eicosadienoyl-CoA 139141 0 0 0 0 0 0 0 0999 V2000 19.2099 2.5412 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4406 1.1742 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0437 0.4946 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2227 -0.8542 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0478 -1.6677 -1.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0475 -2.0256 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1975 -0.9716 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2899 -1.6813 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3699 -0.7637 1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0474 -0.8749 1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 -1.9490 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4892 -1.6363 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1786 -0.4835 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6543 0.8301 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6531 1.8526 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8371 1.5875 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 0.4160 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 0.2941 2.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2809 1.4373 2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 1.6078 1.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 2.6732 1.9149 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 0.3151 0.7658 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 0.8199 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1596 0.8556 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 1.2345 0.2731 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0716 0.4113 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -0.8432 0.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 0.8072 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -0.1460 -1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 0.1566 -2.0112 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0502 -0.4674 -1.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1615 0.0137 -2.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2283 -1.6319 -0.9927 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6404 -2.7504 -1.7727 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 -1.4847 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 -2.8263 0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6948 -0.4428 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5641 -1.1714 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4925 -1.0534 0.6869 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0284 -0.7124 0.0853 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.8319 0.0621 1.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8453 -2.1631 -0.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9726 0.1913 -1.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8087 1.6707 -1.1545 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.5894 2.4724 -2.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1714 2.4956 0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4338 1.3970 -0.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1940 1.6107 -1.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6699 1.3706 -1.6926 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.9127 0.0860 -1.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1945 0.1539 -0.7303 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.5744 -1.0586 -0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8813 -1.8267 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6227 -2.8762 1.1847 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.8274 -2.7940 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9634 -3.5641 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0046 -4.7315 1.3985 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0235 -3.2010 -0.1278 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0007 -2.0979 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8878 -1.3472 -0.9047 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.7761 -1.6514 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9842 1.2951 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2081 0.8217 1.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1877 2.2479 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2140 2.8993 0.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4010 4.5806 0.0770 P 0 0 0 0 0 5 0 0 0 0 0 0 -13.0497 5.1260 1.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0056 5.0052 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3457 5.2390 -1.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0436 3.2330 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2436 2.9832 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2292 2.5143 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8683 1.2238 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0255 0.5779 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4675 1.1865 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7045 0.4229 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9638 -1.4634 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.6968 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5478 -1.2449 -2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4357 -2.6772 -2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4067 -2.8666 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6194 -2.6018 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4622 -0.6610 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6233 -0.0802 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0196 -2.0242 1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9276 -2.5768 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7779 0.1009 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4452 -0.1095 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6837 -2.5140 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0688 -2.7933 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9717 -2.5284 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4415 -0.5340 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6144 0.9087 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 1.2816 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.7933 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9913 2.1695 -0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2141 2.5253 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 1.5238 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 -0.5632 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 0.5768 0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8532 0.0175 3.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 -0.6322 2.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 2.3662 3.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 1.2568 3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 1.8185 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 0.0576 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 1.6314 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 -0.0948 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 -1.6906 0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.8450 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1602 0.7836 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 0.0312 -2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -1.1964 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0264 0.4087 -3.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2676 -1.9786 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 -3.0171 -2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -3.6622 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 -2.8453 1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1996 -2.8829 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4242 -0.2572 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5385 0.4978 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 -0.7436 1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -1.8902 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5344 -0.1390 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1877 -2.9158 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2095 2.3049 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0833 2.6751 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9081 0.9869 -2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1960 1.5241 -2.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8853 0.4428 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8701 -1.6553 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2939 -5.6627 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7305 -4.6593 2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8926 -1.8675 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9615 1.6832 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2469 1.3408 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8933 2.9864 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1111 5.5139 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6244 5.0338 -1.9906 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 2 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 2 3 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 3 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 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 53 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 56 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 51 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 66 69 1 0 64 49 1 0 61 52 1 0 61 55 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 0 24108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 32114 1 0 33115 1 1 34116 1 0 36117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 42125 1 0 46126 1 0 48127 1 0 48128 1 0 49129 1 6 51130 1 6 53131 1 0 57132 1 0 57133 1 0 59134 1 0 62135 1 0 63136 1 0 64137 1 0 68138 1 0 69139 1 0 M END