Marvin 04081015212D 31 33 0 0 0 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 1 0 0 0 0 0 0 0 0 0 6.1044 2.7620 0.0000 O 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 -0.6929 0.4125 0.0000 O 0 0 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 31 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 16 17 1 6 0 0 0 18 20 1 0 0 0 0 20 19 2 0 0 0 0 20 22 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 23 2 0 0 0 0 24 26 1 0 0 0 0 24 25 1 0 0 0 0 26 29 1 0 0 0 0 29 27 2 0 0 0 0 29 28 1 0 0 0 0 29 30 1 0 0 0 0 31 18 1 0 0 0 0 M CHG 3 21 -1 25 -1 30 -1 M END > CHEBI:57299 > ATP(3-) > A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. > 3 > C10H13N5O13P3 > 504.15720 > 503.97392 > -3 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O > InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1 > ZKHQWZAMYRWXGA-KQYNXXCUSA-K > 9535056 $$$$