HMDB0241595 RDKit 3D (5Z,8Z,10E,14Z,17Z)-12-Hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 9.7504 -3.8438 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 -2.4173 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0401 -1.5787 1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9183 -0.9146 1.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8036 -0.8391 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6069 0.6011 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7394 0.9122 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5564 2.3129 -1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 2.4610 -2.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7576 1.6801 -3.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1729 2.0039 -2.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 2.1891 -0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 1.7329 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 1.9175 1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 1.4622 1.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 0.8308 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 -0.4317 0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0215 -1.0144 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3584 -1.4912 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -0.3196 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 -0.7822 1.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -1.7702 1.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6728 -0.2069 0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9275 -0.6100 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6309 0.4851 1.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8987 0.9969 3.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7823 0.5280 3.5206 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4014 2.0285 3.9443 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.7441 -1.2914 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9965 -0.5019 -0.9676 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.8759 0.3122 -1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1469 0.3374 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2235 -1.4589 -2.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8194 -4.5455 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9765 -4.1453 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7103 -3.7988 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 -2.0476 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7195 -2.4062 -0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7661 -1.5076 2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 -0.3314 2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0179 -1.4425 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8622 -1.1676 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3659 1.3339 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 0.1628 -1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5058 2.6149 -2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 2.9811 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 3.5418 -2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 0.7527 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 1.5100 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 2.6747 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 1.2584 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 2.3967 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 0.7401 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 2.3025 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0545 1.4458 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 -1.0735 1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 -0.2387 -1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4473 -1.8281 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -2.2625 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -1.8347 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 0.1098 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 0.4627 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7357 -1.4452 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7746 1.3883 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6223 0.1513 2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1945 -2.2067 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6834 -1.5922 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7685 1.2607 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1388 0.6454 -2.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 -0.2469 -1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8737 1.4271 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7277 0.2049 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8411 0.1072 -1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2619 -2.0063 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5892 -0.9547 -2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0060 -2.1783 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 3 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 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 24 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 25 64 1 0 25 65 1 0 29 66 1 0 29 67 1 0 31 68 1 0 31 69 1 0 31 70 1 0 32 71 1 0 32 72 1 0 32 73 1 0 33 74 1 0 33 75 1 0 33 76 1 0 M CHG 2 28 -1 30 1 M END