HMDB0241872 RDKit 3D 4-(Methylsulfanyl)-2-oxobutanoylcarnitine 40 39 0 0 0 0 0 0 0 0999 V2000 4.2717 2.1297 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 0.5256 2.0349 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4408 -0.7573 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 -0.7196 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -0.9692 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -1.1833 1.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 -0.9751 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -0.7687 -1.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4514 -1.2091 0.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -1.2227 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 -2.5356 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -3.6851 -1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -3.5699 -1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 -4.9762 -1.1577 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6115 -0.1666 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 1.1754 -0.3635 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3554 2.0342 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 1.5437 0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 1.5432 -1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 2.5911 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8222 2.8486 1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8305 2.0357 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.4719 0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 -1.7412 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 0.2031 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 -1.5686 -0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 -1.0299 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 -2.4704 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 -2.7220 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 -0.3672 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 -0.2819 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 3.0586 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0811 1.6507 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 2.0919 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 1.5005 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 2.5838 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6114 0.7948 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 2.5532 -1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 1.6447 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 0.8829 -2.4068 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 2 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 15 30 1 0 15 31 1 0 17 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 M CHG 2 14 -1 16 1 M END