Molecule: 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the endocyclic nitrogen at position 3 in the imidazole ring of 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Synonyms for 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium :
5-amino-1-(5-phospho-beta-D-ribosyl)imidazole
Molecular Formula: C8H13N3O7P
Molecular wt: 294.179 g/mole
Charge: -1
SMILES: O1[C@@H]([C@H]([C@H]([C@@H]1N2C(=C[NH+]=C2)N)O)O)COP(=O)([O-])[O-]
InChIKey: PDACUKOKVHBVHJ-XVFCMESISA-M
InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/p-1/t4-,6-,7-,8-/m1/s1