1.0 2011-09-21 01:47:06 UTC 2015-07-21 06:59:34 UTC FDB028906 N5-Carboxyaminoimidazole ribonucleotide N5-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] C9H14N3O9P 339.1959 339.046765573 (1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)carbamic acid 3-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazol-4-ylcarbamic acid OC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=O InChI=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 phosphates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1,2-diols Azacyclic compounds Carbamic acids Carbonyl compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidazole ribonucleosides and ribonucleotides Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary alcohols Tetrahydrofurans 1,2-diol Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Azole Carbamic acid Carbamic acid derivative Carbonic acid derivative Carbonyl group Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazole ribonucleoside Monoalkyl phosphate Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Secondary alcohol Tetrahydrofuran Solid logp -2.13 ALOGPS logs -2.11 ALOGPS solubility 2.61e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic 5.83 ChemAxon iupac (1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)carbamic acid ChemAxon average_mass 339.1959 ChemAxon mono_mass 339.046765573 ChemAxon smiles OC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=O ChemAxon formula C9H14N3O9P ChemAxon inchi InChI=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) ChemAxon inchikey JHLXDWGVSYMXPL-UHFFFAOYSA-N ChemAxon polar_surface_area 183.6 ChemAxon refractivity 67.45 ChemAxon polarizability 28.38 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2963 Specdb::CMs 39891 Specdb::CMs 135214 Specdb::CMs 142948 Specdb::MsMs 182778 Specdb::MsMs 182779 Specdb::MsMs 182780 Specdb::MsMs 183126 Specdb::MsMs 183127 Specdb::MsMs 183128 Specdb::MsMs 2786539 Specdb::MsMs 2786540 Specdb::MsMs 2786541 Specdb::MsMs 2918588 Specdb::MsMs 2918589 Specdb::MsMs 2918590 Specdb::NmrOneD 96858 Specdb::NmrOneD 96859 Specdb::NmrOneD 96860 Specdb::NmrOneD 96861 Specdb::NmrOneD 96862 Specdb::NmrOneD 96863 Specdb::NmrOneD 96864 Specdb::NmrOneD 96865 Specdb::NmrOneD 96866 Specdb::NmrOneD 96867 Specdb::NmrOneD 96868 Specdb::NmrOneD 96869 Specdb::NmrOneD 96870 Specdb::NmrOneD 96871 Specdb::NmrOneD 96872 Specdb::NmrOneD 96873 Specdb::NmrOneD 96874 Specdb::NmrOneD 96875 Specdb::NmrOneD 96876 Specdb::NmrOneD 96877 HMDB12268 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823