1.0 2011-09-21 00:26:42 UTC 2015-07-21 06:57:36 UTC FDB023235 5-Amino-6-(5'-phosphoribitylamino)uracil 5-Amino-6-(5'-phosphoribitylamino)uracil is an intermediate in Riboflavin metabolism. 5-Amino-6-(5'-phosphoribitylamino)uracil is the 3rd to last step in the synthesis of 7-Hydroxy-6-methyl-8-ribityl lumazine and is converted from 5-Amino-6-(5'-phosphoribosylamino)uracil via the enzyme 5-amino-6-(5-phosphoribosylamino)uracil reductase (EC 1.1.1.193). It is then converted to 4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine via the enzyme Hydrolases (EC 3.1.3.- ). [HMDB] 5-amino-2,6-Dioxy-4-(5'-oribitylamino)pyrimidine 5-Amino-2,6-dioxy-4-(5'-phosphoribitylamino)pyrimidine 5-amino-6-(5-Oribitylamino)uracil 5-Amino-6-(5-phosphoribitylamino)uracil C9H17N4O9P 356.2264 356.073314674 ({5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl}oxy)phosphonic acid {5-[(5-amino-2,6-dioxo-1,3-dihydropyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl}oxyphosphonic acid NC1=C(NCC(O)C(O)C(O)COP(O)(O)=O)NC(=O)NC1=O InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18) RQRINYISXYAZKL-UHFFFAOYSA-N belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Monosaccharide phosphates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Organic oxides Organopnictogen compounds Pentoses Polyols Primary amines Pyrimidones Secondary alcohols Secondary alkylarylamines Ureas Vinylogous amides Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monoalkyl phosphate Monosaccharide phosphate Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pentose monosaccharide Phosphoric acid ester Polyol Primary amine Pyrimidine Pyrimidone Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Urea Vinylogous amide Solid logp -2.49 ALOGPS logs -2.09 ALOGPS solubility 2.89e+00 g/l ALOGPS logp -5.8 ChemAxon pka_strongest_acidic 1.49 ChemAxon pka_strongest_basic 6.52 ChemAxon iupac ({5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl}oxy)phosphonic acid ChemAxon average_mass 356.2264 ChemAxon mono_mass 356.073314674 ChemAxon smiles NC1=C(NCC(O)C(O)C(O)COP(O)(O)=O)NC(=O)NC1=O ChemAxon formula C9H17N4O9P ChemAxon inchi InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18) ChemAxon inchikey RQRINYISXYAZKL-UHFFFAOYSA-N ChemAxon polar_surface_area 223.7 ChemAxon refractivity 82.36 ChemAxon polarizability 30.26 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2906 Specdb::CMs 38660 Specdb::MsMs 179094 Specdb::MsMs 179095 Specdb::MsMs 179096 Specdb::MsMs 181419 Specdb::MsMs 181420 Specdb::MsMs 181421 Specdb::NmrOneD 295655 Specdb::NmrOneD 295656 Specdb::NmrOneD 295657 Specdb::NmrOneD 295658 Specdb::NmrOneD 295659 Specdb::NmrOneD 295660 Specdb::NmrOneD 295661 Specdb::NmrOneD 295662 Specdb::NmrOneD 295663 Specdb::NmrOneD 295664 Specdb::NmrOneD 295665 Specdb::NmrOneD 295666 Specdb::NmrOneD 295667 Specdb::NmrOneD 295668 Specdb::NmrOneD 295669 Specdb::NmrOneD 295670 Specdb::NmrOneD 295671 Specdb::NmrOneD 295672 Specdb::NmrOneD 295673 Specdb::NmrOneD 295674 HMDB03841 18247 14 kDa phosphohistidine phosphatase Q9NRX4 PHPT1