1.0 2016-09-30 22:27:57 UTC 2020-05-11 20:47:18 UTC BMDB0000293 BMDB00293 Xanthosine 5-triphosphate O(5')-(Tetrahydroxytriphosphoryl)xanthosine Triphopsphoric acid 1-xanthosin-5'-yl ester Xanthosine 5'-triphosphate Xanthosine triphosphate Triphopsphate 1-xanthosin-5'-yl ester Triphopsphic acid 1-xanthosin-5'-yl ester Xanthosine 5'-triphosphoric acid Xanthosine triphosphoric acid Xanthosine 5-triphosphoric acid 5'-XTP Xanthosine mono(tetrahydrogen triphosphate) XTP Xanthosine 5'-triphosphate 2Sodium salt C10H15N4O15P3 524.1652 523.974675366 ({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid xanthosine 5-triphosphate 6253-56-1 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(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)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 CAEFEWVYEZABLA-UUOKFMHZSA-N belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside triphosphates 1,2-diols Alkaloids and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentose phosphates Purine ribonucleoside monophosphates Secondary alcohols Tetrahydrofurans Xanthines 1,2-diol Alcohol Alkaloid or derivatives Alkyl phosphate Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Imidazole Imidazopyrimidine Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Purine Purine ribonucleoside monophosphate Purine ribonucleoside triphosphate Pyrimidine Secondary alcohol Tetrahydrofuran Xanthine Aromatic heteropolycyclic compounds purine ribonucleoside 5'-triphosphate xanthosine 5'-phosphate Solid logp -0.45 ALOGPS logs -2.11 ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 0.96 ChemAxon pka_strongest_basic 0.016 ChemAxon iupac ({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon average_mass 524.1652 ChemAxon mono_mass 523.974675366 ChemAxon smiles O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O ChemAxon formula C10H15N4O15P3 ChemAxon inchi InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(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)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 ChemAxon inchikey CAEFEWVYEZABLA-UUOKFMHZSA-N ChemAxon polar_surface_area 293.57 ChemAxon refractivity 95.02 ChemAxon polarizability 39.11 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 27920 Specdb::MsMs 27921 Specdb::MsMs 27922 Specdb::MsMs 34478 Specdb::MsMs 34479 Specdb::MsMs 34480 Specdb::MsMs 2758455 Specdb::MsMs 2758456 Specdb::MsMs 2758457 Specdb::MsMs 2950332 Specdb::MsMs 2950333 Specdb::MsMs 2950334 Specdb::CMs 15558 Specdb::CMs 37407 Specdb::CMs 1056912 Specdb::CMs 1056913 Specdb::CMs 1056915 Specdb::CMs 1056917 Specdb::CMs 1056919 Specdb::CMs 1056921 Specdb::CMs 1056923 Specdb::CMs 1056925 Specdb::CMs 1056926 Specdb::CMs 1056929 Specdb::CMs 1056931 Specdb::CMs 1056933 Specdb::CMs 1056935 Specdb::CMs 1056937 Specdb::CMs 1056939 Specdb::CMs 1056941 Specdb::CMs 1056943 Specdb::CMs 1056944 Specdb::CMs 1056945 Specdb::CMs 1056947 Specdb::CMs 1056949 Specdb::CMs 1056951 Specdb::CMs 1056953 Specdb::NmrOneD 143370 Specdb::NmrOneD 143371 Specdb::NmrOneD 143372 Specdb::NmrOneD 143373 Specdb::NmrOneD 143374 Specdb::NmrOneD 143375 Specdb::NmrOneD 143376 Specdb::NmrOneD 143377 Specdb::NmrOneD 143378 Specdb::NmrOneD 143379 Specdb::NmrOneD 143380 Specdb::NmrOneD 143381 Specdb::NmrOneD 143382 Specdb::NmrOneD 143383 Specdb::NmrOneD 143384 Specdb::NmrOneD 143385 Specdb::NmrOneD 143386 Specdb::NmrOneD 143387 Specdb::NmrOneD 143388 Specdb::NmrOneD 143389 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C00700 FDB021932 388429 10049 439296 35735 anachkov I; Pan J Y; Wessling-Resnick M; Wright G E Synthesis and effect of nonhydrolyzable xanthosine triphosphate derivatives on prenylation of Rab5D136N. Molecular pharmacology (1997), 51(1), 47-51.