Marvin 02211114332D 30 32 0 0 1 0 999 V2000 2.8984 5.6343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 4.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 4.3968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 3.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 3.1593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 3.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 4.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 4.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 3.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 3.3168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 2.5320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1674 1.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6523 1.1971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4369 1.4521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1044 0.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8447 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7144 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3973 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 30 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 17 19 1 0 0 0 0 19 18 2 0 0 0 0 19 21 1 0 0 0 0 19 20 1 0 0 0 0 21 23 1 0 0 0 0 23 22 2 0 0 0 0 23 25 1 0 0 0 0 23 24 1 0 0 0 0 25 28 1 0 0 0 0 28 26 2 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 30 17 1 0 0 0 0 M CHG 4 20 -1 24 -1 27 -1 29 -1 M END > CHEBI:61404 > dATP(4-) > A 2'-deoxyribonucleoside 5'-triphosphate(4?) that is the tetraanion of 2'-deoxyadenosine 5'-triphosphate (dATP), arising from deprotonation of the four triphosphate OH groups; major species at pH 7.3. > 3 > dATP tetraanion; dATP; 2'-deoxyadenosine 5'-triphosphate(4-); 2'-deoxyadenosine 5'-triphosphate tetraanion; 2'-deoxyadenosine 5'-triphosphate > 2'-deoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)adenosine > C10H12N5O12P3 > 487.14990 > 486.97173 > -4 > Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 > InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/p-4/t5-,6+,7+/m0/s1 > SUYVUBYJARFZHO-RRKCRQDMSA-J > 5788808 > DATP $$$$