ATP

ATP bmse000006 - Data bmse000854 - Data bmse000993 - Data bmst000033 - Theory

ATP synonyms

Ado-5'-P-P-P; Adynol; Adenosine 5'-(tetrahydrogen triphosphate); Adetol; Atipi; Triphosphoric acid adenosine ester; Myotriphos; Glucobasin; Adenylpyrophosphoric acid; ATP (nucleotide); Triadenyl

Graphical representations:

View large 3D structure

Molecular Formula: C10H16N5O13P3

Natural Isotopic Abundance Mass: 507.1810230000

Mono-Isotopic Molecular Masses:

C12N14: 506.995745157
C13N14: 517.029293535
C12N15: 511.980919623
C13N15: 522.0144680009

InChI string: 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

IUPAC: [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

PubChem Compound (CID): 5957
KEGG Compound ID: C00002
CAS Registry number: 10168-83-9 16488-07-6 51569-41-6 56-65-5 71800-44-7 84412-18-0
ChEBI: 15422
EINECS: 200-283-2
PDB Compound ID: ATP

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)