10548 -OEChem-10051719283D 38 37 0 0 0 0 0 0 0999 V2000 0.0155 0.8867 0.9921 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 0.5578 -0.3105 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 0.9187 0.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7661 -1.0266 -0.6326 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 1.3649 -1.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 0.0784 0.0436 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7641 0.5247 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 0.8629 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 0.3336 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -1.4077 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.3547 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2101 0.7223 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9402 -1.9515 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3439 1.1255 0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 -3.3443 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -0.0755 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 1.5756 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 1.9286 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 0.6730 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 0.5195 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -0.2306 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 -0.0003 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 1.4064 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 -1.9464 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -1.5817 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7913 -1.7361 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 0.9582 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 -0.6862 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2247 1.3349 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 -0.3284 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 -1.9131 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 -1.6956 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3115 0.9910 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3271 0.5279 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 2.1735 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -4.0857 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 -3.3985 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 -3.6058 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 M CHG 1 6 1 M END > DB01057 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BJOLKYGKSZKIGU-UHFFFAOYSA-N/SDF?record_type=3d > CCOP(=O)(OCC)SCC[N+](C)(C)C > InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1 > BJOLKYGKSZKIGU-UHFFFAOYSA-N > C9H23NO3PS > 256.323 > 256.113625809 > 1 > 38 > 1.0 > 27.651245898534718 > 1 > 0 > 1 > 0 > diethyl {[2-(trimethylazaniumyl)ethyl]sulfanyl}phosphonate > -2.15 > -3.050055222805079 > -2.99 > 0 > 1 > 0 > 1 > -8.202808728963555 > 35.53 > 78.138 > 8 > 1 > 2.97e-01 g/l > biotin > 1 $$$$