HMDB0241601 RDKit 3D (13Z)-Docos-13-enoylcarnitine 89 88 0 0 0 0 0 0 0 0999 V2000 -9.0331 -3.2210 -4.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5709 -3.1601 -2.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6857 -2.3007 -1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6572 -0.9486 -2.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8639 0.1001 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4175 -0.2081 -1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7079 0.9356 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2514 1.2647 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5447 2.3839 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8822 2.3821 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 1.1874 3.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 0.8512 3.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 0.5470 1.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 0.2648 1.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8818 -0.8705 2.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 -1.1717 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.2106 3.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 1.1400 3.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 1.1285 1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 0.4596 1.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 0.4047 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3454 -0.2228 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -0.3619 1.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -0.6933 -0.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3308 -1.2853 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1344 -2.8044 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3832 -3.5505 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 -3.0905 -0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3621 -4.9689 -0.9685 O 0 0 0 0 0 1 0 0 0 0 0 0 8.2267 -0.7774 -1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4195 0.6524 -1.8860 N 0 0 0 0 0 4 0 0 0 0 0 0 7.4005 1.2928 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 1.2433 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6988 0.8653 -2.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5075 -4.1082 -4.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9353 -3.3042 -4.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3724 -2.3249 -4.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7013 -4.1791 -2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5680 -2.6777 -2.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1792 -2.3542 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6759 -2.7700 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7158 -0.6119 -2.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3038 -1.0871 -3.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3657 0.2888 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9887 1.0536 -2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2106 -1.1911 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9435 -0.2993 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6198 0.7465 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 1.8272 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 0.3196 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3354 1.5478 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5868 3.3398 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3629 3.3165 2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2669 0.2914 2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1827 1.4411 4.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 0.0166 3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 1.7747 3.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 -0.3417 1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 1.4571 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -0.0134 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 1.2407 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 -1.7843 2.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3865 -0.7987 3.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 -2.1425 3.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -1.5381 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -0.7406 3.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 -0.0692 4.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.8631 3.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 1.5436 3.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 0.6545 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3423 2.1697 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 -0.5895 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 0.9538 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -0.1304 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 1.4655 -0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 -1.1627 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3591 -3.1625 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7253 -3.0138 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8058 -1.0349 -2.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2038 -1.2696 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8455 1.9487 -3.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8388 0.5039 -3.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7015 1.9093 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 0.6182 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6338 1.5088 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1325 2.2061 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8046 0.0397 -3.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5295 0.7627 -1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7357 1.8756 -3.0476 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 3 10 11 1 0 11 12 1 0 12 13 1 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 25 76 1 0 26 77 1 0 26 78 1 0 30 79 1 0 30 80 1 0 32 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 34 89 1 0 M CHG 2 29 -1 31 1 M END