5288022 -OEChem-12142311383D 43 42 0 0 0 0 0 0 0999 V2000 2.9703 -1.5229 0.1450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 -1.1011 -1.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 2.6765 -0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 0.4657 0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 0.0812 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 0.0660 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0627 1.1980 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -1.1128 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5409 1.1688 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5545 -1.1999 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3100 2.3043 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7973 -2.3125 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 -2.5379 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -1.6647 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -0.4237 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 -0.1726 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5096 1.8434 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 2.2443 1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 0.1864 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6995 -0.8844 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 -0.0071 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 1.0083 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6308 2.1670 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9781 1.1175 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -1.0251 1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.0494 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9843 0.2114 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6388 1.2493 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -1.3567 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.2390 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2560 2.2341 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9092 3.2770 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3644 2.2660 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 -2.9540 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0221 -3.3206 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 -0.8733 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0254 0.5255 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 0.4610 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 -1.1120 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 -0.1317 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 1.6606 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 2.0740 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1789 3.3043 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M END > DB03813 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYDKTIAWESXLEF-KTKRTIGZSA-N/SDF?record_type=3d > [H]N(CCSC(=O)\C=C/CCCCCCC)C(C)=O > InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9- > HYDKTIAWESXLEF-KTKRTIGZSA-N > C14H25NO2S > 271.419 > 271.160599739 > 2 > 43 > 0.7905699522048762 > 33.107456128630965 > 1 > 1 > 0 > 1 > N-{2-[(2Z)-dec-2-enoylsulfanyl]ethyl}acetamide > 3.4830285436666673 > 0 > 0 > 0 > 0 > 15.726048717155802 > 0.5769014523850062 > 46.17 > 79.2325 > 11 > 1 > 2-decenoyl N-acetyl cysteamine > 0 $$$$