ITP
ITP synonyms
Inosine tripolyphosphate; Inosine triphosphate; INOSINE TRIPHOSPHATE; Inosine 5'-(tetrahydrogen triphosphate); Inosine 5'-triphosphate
Graphical representations:
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: 522.0014486925
InChI string: InChI=1S/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
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): 8583KEGG Compound ID: C00081
ChemIDplus: 000132069
CAS Registry number: 132-06-9
EINECS: 205-046-7
PDB Compound ID: ITT
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)