HMDB0301192 RDKit 3D (4Z,10Z,12E)-Tetradeca-4,10,12-trienoyl-CoA 119121 0 0 0 0 0 0 0 0999 V2000 18.7482 -0.2531 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4890 0.3997 1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3791 0.2403 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1108 0.8826 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0301 0.6763 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7262 1.2830 0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 2.1457 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8884 2.7467 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 1.6345 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 0.7785 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1522 -0.4985 -0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -1.4944 -1.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -2.6604 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8661 -2.3187 -1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4459 -1.1869 -1.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7017 -3.6666 -1.7879 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -3.0997 -2.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0922 -2.6208 -3.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 -2.2198 -4.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -1.2078 -3.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -0.5462 -2.7336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -0.8731 -4.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 0.0735 -3.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -0.3835 -2.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 0.4268 -1.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 1.5306 -2.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 -0.0004 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 -1.1736 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -0.3907 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4255 0.8211 -1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 -1.5383 -1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.6781 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 0.4835 1.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 0.3804 2.8451 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8178 1.7689 3.4396 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 -0.4919 3.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1269 -0.4083 2.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 0.5758 2.3659 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4177 0.6186 0.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 2.1643 2.9546 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8279 -0.0675 2.9948 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7785 0.9613 2.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1072 0.4672 3.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5231 -0.5616 2.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7950 -0.3349 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0099 -0.9852 0.9968 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5903 -2.1976 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9720 -2.4575 -0.6022 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6452 -1.3821 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2451 -1.1420 -2.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2540 -2.0516 -3.3509 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8484 0.0580 -2.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8712 0.9661 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2867 0.7191 -0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6651 -0.4592 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8425 1.1686 2.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0643 1.6071 1.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0959 1.5991 3.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9167 1.6001 4.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9608 3.1049 5.2649 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.1872 2.9753 6.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5398 3.5560 5.6624 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2280 4.2250 4.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1524 0.3520 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4896 -0.2393 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5953 -1.2818 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4903 1.0258 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3855 -0.3719 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1322 1.4973 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 0.0314 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0055 0.5018 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8447 1.9087 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9446 2.9933 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2414 1.5427 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 3.2807 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5957 3.4279 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1065 1.1011 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8454 2.0932 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6401 1.2464 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3568 -0.8756 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0121 -0.9618 -2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2743 -1.9253 -2.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5082 -3.4213 -2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4817 -3.2254 -0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7534 -2.3105 -1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -3.9812 -2.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 -1.7467 -3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -3.4118 -4.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6033 -2.7364 -5.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 -0.5225 -5.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -1.8365 -4.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 0.2727 -4.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 1.1037 -3.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -1.3112 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 0.7214 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -1.2418 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1773 0.9555 -2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5234 0.6926 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 1.6848 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -2.4184 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -1.1834 -2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9596 -1.8834 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 -1.5202 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 -1.0337 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 -0.7816 4.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8113 2.7504 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9050 1.3791 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4103 1.7327 3.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9603 0.1986 4.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5826 -0.5918 3.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0188 -2.8574 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1481 -3.0617 -3.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3704 -1.7035 -4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3640 1.9090 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8688 1.5693 2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3286 2.5019 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6059 2.5907 3.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1721 2.8370 5.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2796 4.2628 4.4946 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 13 14 1 0 14 15 2 0 14 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 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 41 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 2 0 48 49 1 0 49 50 2 0 50 51 1 0 50 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 45 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 63 1 0 58 43 1 0 55 46 1 0 55 49 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 27 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 36105 1 0 40106 1 0 42107 1 0 42108 1 0 43109 1 0 45110 1 0 47111 1 0 51112 1 0 51113 1 0 53114 1 0 56115 1 0 57116 1 0 58117 1 0 62118 1 0 63119 1 0 M END