Ketcher 06022016242D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 17.3296 -14.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4749 -13.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9776 -15.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6703 -14.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9721 -15.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6313 -16.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4190 -16.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1843 -15.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0895 -15.5111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8155 -14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9608 -14.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8685 -13.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5105 -12.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8585 -13.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2795 -12.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1127 -12.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5837 -12.3930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4260 -11.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1216 -11.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1950 -10.7878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8920 -10.5133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2431 -14.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5253 -14.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1019 -14.0097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.3842 -14.0097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1019 -13.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3842 -13.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1019 -15.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3842 -15.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8075 -14.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6663 -14.0097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6663 -13.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6663 -15.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 6 0 0 5 7 1 6 0 0 4 5 1 0 0 0 1 8 1 6 0 0 8 9 3 0 0 0 10 11 1 0 0 0 4 10 1 1 0 0 1 12 1 1 0 0 12 13 1 0 0 0 12 14 2 0 0 0 14 16 1 0 0 0 15 16 2 0 0 0 13 17 1 0 0 0 13 15 1 0 0 0 17 18 2 0 0 0 15 19 1 0 0 0 18 20 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 24 11 1 0 0 0 24 22 1 0 0 0 24 26 2 0 0 0 24 28 1 0 0 0 25 23 1 0 0 0 22 25 1 0 0 0 25 27 2 0 0 0 25 29 1 0 0 0 31 30 1 0 0 0 23 31 1 0 0 0 31 32 2 0 0 0 31 33 1 0 0 0 M END > CHEBI:150869 > GS-443902 > An organic triphosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a triphosphate group. It is the active metabolite of remdesivir. > 3 > remdesivir triphosphate; RDV-TP; GS-441524 triphosphate > ((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate > C12H16N5O13P3 > 531.203 > 530.99575 > 0 > [C@]1(O[C@@H]([C@H]([C@H]1O)O)COP(OP(OP(O)(=O)O)(=O)O)(=O)O)(C#N)C=2N3N=CN=C(C3=CC2)N > InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1 > DFVPCNAMNAPBCX-LTGWCKQJSA-N > 1355149-45-9 > 1355149-45-9 > PMC7242921 > 22446091; 26934220; 28124907; 32247927; 32358203; 32402130 $$$$