Smiles:
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

InChIKey:
ZKHQWZAMYRWXGA-KQYNXXCUSA-N

InChI:

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)/t4-,6-,7-,10-/m1/s1

InChIcol:
1

More information (from its Standard Form):

Adenosine-5'-triphosphate

Complex structures in which this molecule appears :

Complex Structure ID: 1315 Complex Structure ID: 1321 Complex Structure ID: 1322 Complex Structure ID: 1323 Complex Structure ID: 1324 Complex Structure ID: 1325

References in which this molecule is mentioned:

Marcus T. Hock, Abigail E. Teitgen, Kimberly J. McCabe, Sophia P. Hirakis, Gary A. Huber, Michael Regnier, Rommie E. Amaro, J. Andrew McCammon, Andrew D. McCulloch. 2023. Multiscale Computational Modeling of the Effects of 2'-deoxy-ATP on Cardiac Muscle Calcium Handling. Journal of Applied Physics 2 (695). doi: 10.1016/j.abb.2020.108582.

Marcus T. Hock, Abigail E. Teitgen, Kimberly J. McCabe, Sophia P. Hirakis, Gary A. Huber, Michael Regnier, Rommie E. Amaro, J. Andrew McCammon, Andrew D. McCulloch. 2023. Multiscale Computational Modeling of the Effects of 2’-deoxy-ATP on Cardiac Muscle Calcium Handling. Journal of Applied Physics None (134). doi: 10.1063/5.0157935.

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