2.02012-05-31 14:53:54 -06002015-06-03 17:20:24 -0600ECMDB20622M2MDB001420XDPXDP is a member of the chemical class known as Purine Ribonucleoside Monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. . XDP is produced by the action of xanthosine triphosphatase when using XTP as a substrate.Xanthosine diphosphateXanthosine diphosphoric acidC10H14N4O12P2444.1853444.008344956[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acidXDP[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=C(O)N=C3O)[C@]([H])(O)[C@]1([H])OInChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1YMOPVQQBWLGDOD-UUOKFMHZSA-NCytosollogp-0.98logs-2.08solubility3.73e+00 g/llogp-3.1pka_strongest_acidic1.78pka_strongest_basic0.069iupac[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acidaverage_mass444.1853mono_mass444.008344956smiles[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=C(O)N=C3O)[C@]([H])(O)[C@]1([H])OformulaC10H14N4O12P2inchiInChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1inchikeyYMOPVQQBWLGDOD-UUOKFMHZSA-Npolar_surface_area247.04refractivity84.15polarizability35.07rotatable_bond_count6acceptor_count13donor_count7physiological_charge-2formal_charge0Collection of Reactions without pathwaysPW001891MetabolicSpecdb::CMs1083518Specdb::EiMs4454Specdb::NmrOneD252008Specdb::NmrOneD252009Specdb::NmrOneD252010Specdb::NmrOneD252011Specdb::NmrOneD252012Specdb::NmrOneD252013Specdb::NmrOneD252014Specdb::NmrOneD252015Specdb::NmrOneD252016Specdb::NmrOneD252017Specdb::NmrOneD252018Specdb::NmrOneD252019Specdb::NmrOneD252020Specdb::NmrOneD252021Specdb::NmrOneD252022Specdb::NmrOneD252023Specdb::NmrOneD252024Specdb::NmrOneD252025Specdb::NmrOneD252026Specdb::NmrOneD252027Specdb::MsMs25298Specdb::MsMs25299Specdb::MsMs25300Specdb::MsMs31856Specdb::MsMs31857Specdb::MsMs31858439486388584C01337XDPKeseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590.21097882Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114.22080510UPF0244 protein yjjXP39411YJJX_ECOLIyjjXhttp://ecmdb.ca/proteins/P39411.xmlWater + Xanthosine 5-triphosphate > Hydrogen ion + Phosphate + XDPRXN0-5074