657272 -OEChem-10051720393D 36 35 0 1 0 0 0 0 0999 V2000 0.5530 2.4007 -0.0393 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.6772 1.6035 0.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4596 1.1328 -0.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -1.5968 -1.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 3.1186 -1.2643 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3123 3.1635 1.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.7547 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -1.0850 0.0579 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4666 0.0101 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -2.1560 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2607 -1.7059 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8357 -0.4883 -1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 0.6044 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -0.8100 -0.2683 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0701 0.2942 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -1.7309 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 0.7679 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 -0.4300 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -2.4330 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 -3.0255 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5656 -1.7971 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9647 -0.9207 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7746 -2.4868 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7759 -2.1335 1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4219 0.3868 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 -0.2258 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4935 -1.2478 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -0.1430 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7863 1.0939 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -0.3903 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 0.8970 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 -0.1367 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 -2.2249 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -1.1906 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5034 -0.9958 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -2.3235 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 7 16 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > DB04660 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SUHOQUVVVLNYQR-MRVPVSSYSA-N/SDF?record_type=3d > [H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 > SUHOQUVVVLNYQR-MRVPVSSYSA-N > C8H20NO6P > 257.223 > 257.102824366 > 4 > 36 > 24.74272356916039 > 1 > 2 > 0 > 0 > (2-{[(2R)-2,3-dihydroxypropyl phosphonato]oxy}ethyl)trimethylazanium > -2.56 > -5.728311425471745 > -1.54 > 0 > 0 > 0 > 13.641245557329462 > 1.8553451472945346 > -2.9689647678822215 > 99.05000000000001 > 68.6823 > 8 > 1 > 8.96e+00 g/l > Alpha-GPC > 0 $$$$