HMDB0006317 RDKit 3D trans-Hexadec-2-enoyl carnitine 71 70 0 0 0 0 0 0 0 0999 V2000 10.1268 1.7025 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7128 1.1973 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6405 0.3496 1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2517 -0.1925 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7909 -1.0501 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 -1.5845 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 -2.4389 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 -1.6761 -1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 -0.5085 -1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 -0.9289 -1.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6863 0.3187 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -0.0728 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 1.1885 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 0.9430 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 -0.2962 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 -0.6280 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 -1.8318 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7819 0.3064 -0.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1362 -0.0212 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9542 0.3149 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9271 1.7136 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 2.6407 -0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6747 2.0732 -2.5394 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.5911 0.5443 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9385 0.2463 1.8616 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9819 0.4640 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3375 -1.1114 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9064 1.2145 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3199 1.8958 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 2.6782 0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8268 0.9558 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5007 0.5369 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 2.0727 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3854 -0.4640 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9142 0.9489 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 -0.7651 2.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 0.6247 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 -1.9237 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 -0.4096 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -2.2348 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -0.7688 0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -3.3166 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 -2.8360 -0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -2.3873 -2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8695 -1.3140 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9597 -0.0374 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 0.1830 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -1.5954 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -1.4250 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 0.9738 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.8481 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -0.6023 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0915 -0.7259 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 1.6533 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 1.8979 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 1.7673 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 -1.0826 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 -1.1279 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4679 -0.2590 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9909 -0.0516 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4549 1.6393 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9323 0.0811 2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6857 1.5391 3.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0372 0.3199 3.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2835 -0.2076 3.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9485 -1.3057 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9945 -1.4136 2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4404 -1.7572 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6172 1.5579 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5539 0.8142 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3579 2.1468 1.0604 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 24 61 1 0 24 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 27 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 M CHG 2 23 -1 25 1 M END