ITP

ITP bmse000255 - Data bmst000273 - Theory

ITP synonyms

Inosine tripolyphosphate; Inosine triphosphate; INOSINE TRIPHOSPHATE; Inosine 5'-(tetrahydrogen triphosphate); Inosine 5'-triphosphate

Wikipedia:

Graphical representations:

ITP

View large 3D structure

Molecular Formula: C10H15N4O14P3

Natural Isotopic Abundance Mass: 508.1657830000

Mono-Isotopic Molecular Masses:

  • C12N14: 507.979760742
  • C13N14: 518.01330912
  • C12N15: 511.967900314
  • C13N15: 518.01330912

InChI string: InChI=1/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h11,18-19,21,23H

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

PubChem Compound (CID): 8583
KEGG Compound ID: C00081
ChemIDplus: 000132069
CAS Registry number: 132-06-9
EINECS: 205-046-7

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)