1.02011-09-21 01:47:06 UTC2015-07-21 06:59:34 UTCFDB028906N5-Carboxyaminoimidazole ribonucleotideN5-Carboxyaminoimidazole ribonucleotide is an intermediate in purine nucleotides de novo biosynthesis. Purine nucleotides participate in many aspects of cellular metabolism including the structure of DNA and RNA, serving as enzyme cofactors, functioning in cellular signaling, acting as phosphate group donors, and generating cellular energy. Maintenance of the proper balance of intracellular pools of these nucleotides is critical to normal function. This occurs through a combination of de novo biosynthesis and salvage pathways for pre-existing purine bases, nucleosides and nucleotides. The de novo biosynthetic pathway for purine nucleotides is highly conserved among organisms, but its regulation and the organization of the genes encoding the enzymes vary. The fourteen step pathway contains ten steps that branch at inosine-5'-phosphate to form adenosine-5'-phosphate and guanosine-5'-phosphate, each in two steps. [HMDB]C9H14N3O9P339.1959339.046765573(1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)carbamic acid3-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazol-4-ylcarbamic acidOC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=OInChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)JHLXDWGVSYMXPL-UHFFFAOYSA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.Pentose phosphatesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteromonocyclic compounds1,2-diolsAzacyclic compoundsCarbamic acidsCarbonyl compoundsGlycosylaminesHeteroaromatic compoundsHydrocarbon derivativesImidazole ribonucleosides and ribonucleotidesMonoalkyl phosphatesMonosaccharide phosphatesN-substituted imidazolesOrganic carbonic acids and derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsOxacyclic compoundsSecondary alcoholsTetrahydrofurans1,2-diolAlcoholAlkyl phosphateAromatic heteromonocyclic compoundAzacycleAzoleCarbamic acidCarbamic acid derivativeCarbonic acid derivativeCarbonyl groupGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeImidazoleImidazole ribonucleosideMonoalkyl phosphateMonosaccharide phosphateN-glycosyl compoundN-substituted imidazoleOrganic nitrogen compoundOrganic oxideOrganic phosphoric acid derivativeOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundOxacyclePentose phosphatePentose-5-phosphatePhosphoric acid esterSecondary alcoholTetrahydrofuranSolidlogp-2.13logs-2.11solubility2.61e+00 g/llogp-3.4pka_strongest_acidic1.18pka_strongest_basic5.83iupac(1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)carbamic acidaverage_mass339.1959mono_mass339.046765573smilesOC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=OformulaC9H14N3O9PinchiInChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)inchikeyJHLXDWGVSYMXPL-UHFFFAOYSA-Npolar_surface_area183.6refractivity67.45polarizability28.38rotatable_bond_count5acceptor_count10donor_count6physiological_charge-3formal_charge0Specdb::CMs2963Specdb::CMs39891Specdb::CMs135214Specdb::CMs142948Specdb::MsMs182778Specdb::MsMs182779Specdb::MsMs182780Specdb::MsMs183126Specdb::MsMs183127Specdb::MsMs183128Specdb::MsMs2786539Specdb::MsMs2786540Specdb::MsMs2786541Specdb::MsMs2918588Specdb::MsMs2918589Specdb::MsMs2918590Specdb::NmrOneD96858Specdb::NmrOneD96859Specdb::NmrOneD96860Specdb::NmrOneD96861Specdb::NmrOneD96862Specdb::NmrOneD96863Specdb::NmrOneD96864Specdb::NmrOneD96865Specdb::NmrOneD96866Specdb::NmrOneD96867Specdb::NmrOneD96868Specdb::NmrOneD96869Specdb::NmrOneD96870Specdb::NmrOneD96871Specdb::NmrOneD96872Specdb::NmrOneD96873Specdb::NmrOneD96874Specdb::NmrOneD96875Specdb::NmrOneD96876Specdb::NmrOneD96877HMDB12268AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823