HMDB0259021 RDKit 3D Thiopalmitic Acid 50 49 0 0 0 0 0 0 0 0999 V2000 -5.7597 0.8770 2.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1917 0.1350 1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4632 1.0249 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 0.0872 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 0.8253 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 -0.1728 -2.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 -1.2470 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 -0.7931 -1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -0.0444 -2.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 0.3404 -1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 -0.8385 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5169 -0.2399 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 -1.3294 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 -0.8447 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 0.0402 2.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7673 1.3392 1.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 1.6872 2.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 2.4611 0.6827 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2721 0.0996 3.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 1.5654 2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 1.3390 3.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0084 -0.3824 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -0.6398 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 1.8444 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 1.4947 1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 -0.4046 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3116 -0.6451 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 1.5642 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 1.3180 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -0.6281 -2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 0.4082 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 -1.9837 -2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 -1.8466 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 -1.7321 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 -0.2002 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 0.9388 -2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -0.6320 -3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 0.9599 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 1.0081 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -1.5521 -1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -1.3220 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 0.3361 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 0.4026 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 -2.0612 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6806 -1.9451 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2434 -0.3599 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 -1.7769 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8845 -0.5735 2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 0.1983 2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4047 1.9005 0.0520 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 1 0 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 18 50 1 0 M END