Marvin 04301315172D 26 26 0 0 0 0 999 V2000 15.2223 -13.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2223 -14.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3740 -12.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3740 -15.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5258 -13.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5258 -14.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0699 -15.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9188 -14.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7664 -15.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6154 -14.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6785 -12.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8292 -13.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9821 -12.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1325 -13.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2854 -12.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9844 -11.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1372 -10.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9821 -14.2614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9188 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7669 -12.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6152 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0706 -12.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4361 -13.6022 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.5891 -12.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4339 -14.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4367 -12.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 20 19 1 0 0 0 0 9 8 1 0 0 0 0 21 20 1 0 0 0 0 10 21 1 0 0 0 0 19 22 1 0 0 0 0 10 9 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 M END > CHEBI:73420 > fingolimod phosphate > A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod. > 3 > FTY720-phosphate; FTY720 phosphate; fingolimod-P > 2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate > C19H34NO5P > 387.45070 > 387.21746 > 0 > CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 > InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24) > LRFKWQGGENFBFO-UHFFFAOYSA-N > 9732428 > 15598563; 15894589; 17449719; 17555747; 19430484; 22110161; 22341683; 23290828; 23518370; 23593505 $$$$