HMDB0006319 RDKit 3D Alpha-linolenyl carnitine 73 72 0 0 0 0 0 0 0 0999 V2000 9.4722 -0.5279 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1899 0.1273 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9746 -0.9652 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9416 -1.2379 1.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6876 -0.5339 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 0.7137 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5775 0.9060 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -0.0262 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 -1.4086 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 -1.9893 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -1.3108 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 -2.0048 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -1.3824 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3056 0.0355 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 0.3163 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -0.1840 -2.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 0.3249 -2.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 0.0450 -1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2172 -1.0225 -0.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 1.0098 -1.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9706 0.6563 0.1905 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4596 1.6925 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9387 1.6293 2.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 0.5415 3.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2832 2.7986 3.2360 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.3313 0.8914 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5167 0.6943 0.3308 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.0503 2.0199 0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5939 0.1936 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5833 -0.1252 1.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 0.2408 -2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 -1.0859 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6949 -1.2896 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1904 0.6161 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4907 0.9230 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 -1.6706 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0506 -2.1571 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -0.2077 3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 -1.2178 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0553 1.6368 1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 1.9825 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 0.4614 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9141 -0.0241 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4858 -2.0716 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 -3.0585 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 -1.5195 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2106 -0.2472 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 -1.8582 -1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -3.0715 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -2.0657 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 -1.3715 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 0.4363 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 0.6229 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 0.0764 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 1.4562 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 -1.2977 -2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 0.0972 -3.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 1.4199 -2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -0.1380 -3.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7127 -0.3580 0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 1.6340 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7275 2.7056 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3653 1.9608 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4379 0.3036 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1353 2.6345 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9945 1.9421 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3082 2.5394 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5683 -0.9146 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5389 0.4696 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5577 0.6891 -1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8203 -0.9078 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5771 -0.6739 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6348 0.4811 2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 21 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 21 60 1 1 22 61 1 0 22 62 1 0 26 63 1 0 26 64 1 0 28 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 30 72 1 0 30 73 1 0 M CHG 2 25 -1 27 1 M END