HMDB0301202 RDKit 3D (4Z,10Z,12E)-3-Hydroxytetradeca-4,10,12-trienoyl-CoA 120122 0 0 0 0 0 0 0 0999 V2000 17.7634 -4.0796 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0913 -2.7801 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1586 -2.2873 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5270 -0.9950 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5925 -0.4712 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9820 0.8348 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4836 0.6841 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8415 0.1623 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3548 -0.0054 0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7197 1.2454 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7485 1.8697 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0828 1.4372 2.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7879 0.0978 2.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 2.2279 2.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0569 1.8541 3.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3914 2.5089 4.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 0.6278 3.5386 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -0.4153 2.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 0.2056 0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.9048 1.3093 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 1.5164 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 1.4436 -0.9081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 2.2409 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 2.6473 -0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.4511 -1.4798 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 1.4344 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 2.5311 -3.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 0.1272 -3.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 0.3053 -4.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 -0.4718 -2.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 -1.8023 -3.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9045 0.4092 -3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9313 -0.5872 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 0.6585 -0.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 0.3644 0.8550 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8152 1.5763 1.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 -0.9176 1.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -0.0509 1.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6699 1.3168 0.5772 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8903 2.5357 1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 1.3864 -1.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1524 1.2627 1.4021 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7155 0.0136 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0434 -0.0276 1.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6259 -1.2391 1.6044 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2789 -1.1242 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2094 -2.2265 0.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9552 -3.4514 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9834 -4.2579 0.5618 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9314 -3.5505 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1932 -3.8903 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6460 -5.2208 -0.3349 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9080 -2.9482 -1.1422 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4041 -1.7041 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1892 -1.3415 -0.8624 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4404 -2.2771 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9601 0.2274 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1433 0.1781 1.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9539 1.0069 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2219 1.8865 0.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3620 3.4823 1.0197 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.5050 3.4394 2.5346 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7467 4.1541 0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9743 4.3535 0.6044 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7986 -4.0782 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8164 -4.3342 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1856 -4.8601 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3727 -2.1997 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8233 -2.8246 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8440 -0.4362 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2866 -1.0266 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4391 1.2672 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1447 1.4789 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1150 1.7432 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2307 0.1016 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9781 0.9180 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2506 -0.8409 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8971 -0.4050 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 -0.7668 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1235 1.6989 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4071 2.8261 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6174 1.6843 2.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5429 -0.1958 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 1.9955 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 3.3079 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3205 -1.0160 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 -1.2471 2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4285 0.8443 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 -0.6456 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2353 0.9140 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 1.6783 1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 3.1769 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 3.2315 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 3.1877 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 0.5170 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 -0.5736 -3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 -0.3897 -5.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 -2.6178 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 -1.8154 -4.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 -2.0073 -3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8824 -0.0475 -3.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 1.4141 -2.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8402 0.5121 -4.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -1.2974 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9447 -1.0003 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7219 -0.7098 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4719 0.6604 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 -0.1803 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0460 -0.7739 1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9110 0.1521 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5303 -1.1875 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0403 -3.7826 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9561 -5.7903 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6731 -5.6356 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0776 -1.0028 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0353 0.6862 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4869 1.1137 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4545 1.5522 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2364 3.4779 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2614 5.0617 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 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 2 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 39 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 51 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 46 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 59 44 1 0 56 47 1 0 56 50 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 24 94 1 0 25 95 1 0 28 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 37106 1 0 41107 1 0 43108 1 0 43109 1 0 44110 1 0 46111 1 0 48112 1 0 52113 1 0 52114 1 0 54115 1 0 57116 1 0 58117 1 0 59118 1 0 63119 1 0 64120 1 0 M END