HMDB0241593 RDKit 3D (5Z,8Z,11Z,14Z)-3-Icosa-5,8,11,14-tetraenoylcarnitine 78 77 0 0 0 0 0 0 0 0999 V2000 9.1528 2.5123 2.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2289 1.4800 1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 0.4553 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 -0.6054 1.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 -1.3658 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -2.4014 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1119 -2.4857 -0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3394 -1.5898 -1.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 -0.8303 -2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 -0.7389 -2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -1.3726 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 -2.1930 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -2.0787 -1.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 -1.0765 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 -0.2024 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 1.1018 -1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 1.9861 -2.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 3.0411 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8462 3.7925 -0.6858 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 2.4627 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 1.5672 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 1.3409 -1.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 0.9385 0.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6393 0.0503 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1784 -1.3052 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0339 -2.4395 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 -2.9698 1.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1263 -2.9862 -0.8489 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.7851 0.6555 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0894 0.1428 0.7475 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.6251 -0.5427 1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0026 1.3245 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3539 -0.6577 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3316 3.3333 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 2.9679 2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 2.0453 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 2.0210 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 1.0425 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 0.9206 3.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 -0.0317 2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 -1.3571 2.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0395 -0.1376 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 -1.8368 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 -0.6944 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4004 -3.1495 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 -3.3817 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7421 -2.2190 -2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2244 -0.9033 -1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4761 -0.1951 -3.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -0.0505 -2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -0.5139 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 -1.9585 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -3.0066 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -2.7722 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 -1.5968 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -0.4594 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -0.6921 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 1.5001 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6946 2.5276 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 1.4057 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 3.7791 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 3.5040 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 3.2201 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 1.8268 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6703 0.0680 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9191 -1.1642 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 -1.4334 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7804 1.7911 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 0.5591 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8056 -0.8193 2.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2993 0.1064 2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2295 -1.4144 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9963 0.9884 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5828 1.9960 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1086 1.7563 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5729 -0.6618 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7180 -1.6914 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2568 -0.2288 -0.9313 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 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 1 0 18 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 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 29 68 1 0 29 69 1 0 31 70 1 0 31 71 1 0 31 72 1 0 32 73 1 0 32 74 1 0 32 75 1 0 33 76 1 0 33 77 1 0 33 78 1 0 M CHG 2 28 -1 30 1 M END