2.0 2015-06-08 15:39:09 -0600 2015-07-23 12:07:29 -0600 ECMDB23874 M2MDB005545 2',3'-Cyclic nucleotide N-Acetyl-b-D-glucosaminylamine N-Acetyl-b-delta-glucosaminylamine N-Acetyl-b-glucosaminylamine N-Acetyl-beta-D-glucosaminylamine N-Acetyl-beta-delta-glucosaminylamine N-Acetyl-beta-glucosaminylamine N-Acetyl-β-D-glucosaminylamine N-Acetyl-β-glucosaminylamine N-Acetyl-β-δ-glucosaminylamine N-[2-amino-4,5-Dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide C8H16N2O5 220.223 220.105921632 N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide N-acetyl-β-D-glucosaminylamine CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1 MCGXOCXFFNKASF-FMDGEEDCSA-N logp -2.52 ALOGPS logs 0.01 ALOGPS solubility 2.24e+02 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 12.51 ChemAxon pka_strongest_basic 6.96 ChemAxon iupac N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide ChemAxon average_mass 220.223 ChemAxon mono_mass 220.105921632 ChemAxon smiles CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O ChemAxon formula C8H16N2O5 ChemAxon inchi InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1 ChemAxon inchikey MCGXOCXFFNKASF-FMDGEEDCSA-N ChemAxon polar_surface_area 125.04 ChemAxon refractivity 48.68 ChemAxon polarizability 21.58 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Purine metabolism ec00230 Pyrimidine metabolism The metabolism of pyrimidines begins with L-glutamine interacting with water molecule and a hydrogen carbonate through an ATP driven carbamoyl phosphate synthetase resulting in a hydrogen ion, an ADP, a phosphate, an L-glutamic acid and a carbamoyl phosphate. The latter compound interacts with an L-aspartic acid through a aspartate transcarbamylase resulting in a phosphate, a hydrogen ion and a N-carbamoyl-L-aspartate. The latter compound interacts with a hydrogen ion through a dihydroorotase resulting in the release of a water molecule and a 4,5-dihydroorotic acid. This compound interacts with an ubiquinone-1 through a dihydroorotate dehydrogenase, type 2 resulting in a release of an ubiquinol-1 and an orotic acid. The orotic acid then interacts with a phosphoribosyl pyrophosphate through a orotate phosphoribosyltransferase resulting in a pyrophosphate and an orotidylic acid. The latter compound then interacts with a hydrogen ion through an orotidine-5 '-phosphate decarboxylase, resulting in an release of carbon dioxide and an Uridine 5' monophosphate. The Uridine 5' monophosphate process to get phosphorylated by an ATP driven UMP kinase resulting in the release of an ADP and an Uridine 5--diphosphate. Uridine 5-diphosphate can be metabolized in multiple ways in order to produce a Deoxyuridine triphosphate. 1.-Uridine 5-diphosphate interacts with a reduced thioredoxin through a ribonucleoside diphosphate reductase 1 resulting in the release of a water molecule and an oxidized thioredoxin and an dUDP. The dUDP is then phosphorylated by an ATP through a nucleoside diphosphate kinase resulting in the release of an ADP and a DeoxyUridine triphosphate. 2.-Uridine 5-diphosphate interacts with a reduced NrdH glutaredoxin-like protein through a Ribonucleoside-diphosphate reductase 1 resulting in a release of a water molecule, an oxidized NrdH glutaredoxin-like protein and a dUDP. The dUDP is then phosphorylated by an ATP through a nucleoside diphosphate kinase resulting in the release of an ADP and a DeoxyUridine triphosphate. 3.-Uridine 5-diphosphate is phosphorylated by an ATP-driven nucleoside diphosphate kinase resulting in an ADP and an Uridinetriphosphate. The latter compound interacts with a reduced flavodoxin through ribonucleoside-triphosphate reductase resulting in the release of an oxidized flavodoxin, a water molecule and a Deoxyuridine triphosphate 4.-Uridine 5-diphosphate is phosphorylated by an ATP-driven nucleoside diphosphate kinase resulting in an ADP and an Uridinetriphosphate The uridine triphosphate interacts with a L-glutamine and a water molecule through an ATP driven CTP synthase resulting in an ADP, a phosphate, a hydrogen ion, an L-glutamic acid and a cytidine triphosphate. The cytidine triphosphate interacts with a reduced flavodoxin through a ribonucleoside-triphosphate reductase resulting in the release of a water molecule, an oxidized flavodoxin and a dCTP. The dCTP interacts with a water molecule and a hydrogen ion through a dCTP deaminase resulting in a release of an ammonium molecule and a Deoxyuridine triphosphate. 5.-Uridine 5-diphosphate is phosphorylated by an ATP-driven nucleoside diphosphate kinase resulting in an ADP and an Uridinetriphosphate The uridine triphosphate interacts with a L-glutamine and a water molecule through an ATP driven CTP synthase resulting in an ADP, a phosphate, a hydrogen ion, an L-glutamic acid and a cytidine triphosphate. The cytidine triphosphate then interacts spontaneously with a water molecule resulting in the release of a phosphate, a hydrogen ion and a CDP. The CDP then interacts with a reduced NrdH glutaredoxin-like protein through a ribonucleoside-diphosphate reductase 2 resulting in the release of a water molecule, an oxidized NrdH glutaredoxin-like protein and a dCDP. The dCDP is then phosphorylated through an ATP driven nucleoside diphosphate kinase resulting in an ADP and a dCTP. The dCTP interacts with a water molecule and a hydrogen ion through a dCTP deaminase resulting in a release of an ammonium molecule and a Deoxyuridine triphosphate. 6.-Uridine 5-diphosphate is phosphorylated by an ATP-driven nucleoside diphosphate kinase resulting in an ADP and an Uridinetriphosphate The uridine triphosphate interacts with a L-glutamine and a water molecule through an ATP driven CTP synthase resulting in an ADP, a phosphate, a hydrogen ion, an L-glutamic acid and a cytidine triphosphate. The cytidine triphosphate then interacts spontaneously with a water molecule resulting in the release of a phosphate, a hydrogen ion and a CDP. The CDP interacts with a reduced thioredoxin through a ribonucleoside diphosphate reductase 1 resulting in a release of a water molecule, an oxidized thioredoxin and a dCDP. The dCDP is then phosphorylated through an ATP driven nucleoside diphosphate kinase resulting in an ADP and a dCTP. The dCTP interacts with a water molecule and a hydrogen ion through a dCTP deaminase resulting in a release of an ammonium molecule and a Deoxyuridine triphosphate. The deoxyuridine triphosphate then interacts with a water molecule through a nucleoside triphosphate pyrophosphohydrolase resulting in a release of a hydrogen ion, a phosphate and a dUMP. The dUMP then interacts with a methenyltetrahydrofolate through a thymidylate synthase resulting in a dihydrofolic acid and a 5-thymidylic acid. Then 5-thymidylic acid is then phosphorylated through a nucleoside diphosphate kinase resulting in the release of an ADP and thymidine 5'-triphosphate. PW000942 ec00240 Metabolic Specdb::CMs 13960 Specdb::CMs 37927 Specdb::CMs 156738 Specdb::NmrOneD 21222 Specdb::NmrOneD 21223 Specdb::NmrOneD 21224 Specdb::NmrOneD 21225 Specdb::NmrOneD 21226 Specdb::NmrOneD 21227 Specdb::NmrOneD 21228 Specdb::NmrOneD 21229 Specdb::NmrOneD 21230 Specdb::NmrOneD 21231 Specdb::NmrOneD 21232 Specdb::NmrOneD 21233 Specdb::NmrOneD 21234 Specdb::NmrOneD 21235 Specdb::NmrOneD 21236 Specdb::NmrOneD 21237 Specdb::NmrOneD 21238 Specdb::NmrOneD 21239 Specdb::NmrOneD 21240 Specdb::NmrOneD 21241 Specdb::MsMs 28070 Specdb::MsMs 28071 Specdb::MsMs 28072 Specdb::MsMs 34628 Specdb::MsMs 34629 Specdb::MsMs 34630 Specdb::MsMs 2231809 Specdb::MsMs 2234247 Specdb::MsMs 2234713 Specdb::MsMs 2694957 Specdb::MsMs 2694958 Specdb::MsMs 2694959 Specdb::MsMs 2987729 Specdb::MsMs 2987730 Specdb::MsMs 2987731 C01240 2',3'-Cyclic nucleotide + Water <> Nucleoside 3'-phosphate R03423