ChEBI 47 52 0 0 1 0 0 0 0 0 1 V2000 9.3725 -5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0425 -5.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -6.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 -6.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6335 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4365 -8.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5055 -7.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 -10.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 -12.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 -12.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3035 -10.1905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 -11.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 -10.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 -12.5845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -11.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4415 -12.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 -10.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6410 -14.3135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9045 -14.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2345 -14.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 -15.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0175 -5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6875 -5.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6825 -6.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0125 -6.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2785 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1480 -8.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1505 -7.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8180 -10.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0840 -12.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4140 -12.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9485 -10.1905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9460 -11.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5545 -10.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8230 -12.5845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5570 -11.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0865 -12.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2935 -10.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3525 -14.3135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5495 -14.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9460 -14.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4140 -15.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2685 -10.6560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.5985 -10.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9385 -10.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2685 -9.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2685 -11.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 6 0 0 0 4 3 1 0 0 0 0 7 3 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 6 11 1 6 0 0 0 9 8 1 0 0 0 0 11 8 1 0 0 0 0 13 8 2 0 0 0 0 10 9 1 0 0 0 0 16 9 2 0 0 0 0 12 10 2 0 0 0 0 12 11 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 24 22 1 6 0 0 0 25 24 1 0 0 0 0 28 24 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 27 32 1 6 0 0 0 30 29 1 0 0 0 0 32 29 1 0 0 0 0 34 29 2 0 0 0 0 31 30 1 0 0 0 0 37 30 2 0 0 0 0 33 31 2 0 0 0 0 33 32 1 0 0 0 0 36 34 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 40 1 0 0 0 0 42 41 1 0 0 0 0 44 43 2 0 0 0 0 45 43 2 0 0 0 0 46 43 1 0 0 0 0 47 43 1 0 0 0 0 M END > CHEBI:2361 > abacavir sulfate > An azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir. > 3 > Abacavir sulfate > bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate > 2C14H18N6O.H2O4S > 670.74460 > 670.27580 > 0 > OS(O)(=O)=O.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 > InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1 > WMHSRBZIJNQHKT-FFKFEZPRSA-N > 188062-50-2 > D00891 > 11082806; 11366289; 17541065; 20575592; 21648134; 23264939; 24751900 $$$$