2.02012-10-10 12:12:24 -06002015-06-03 17:25:44 -0600ECMDB23016M2MDB0034065-amino-6-(D-ribitylamino)uracil5-amino-6-(D-ribitylamino)uracil is involved in the Cofactor riboflavin biosynthesis pathway. It is a substrate of Riboflavin biosynthesis protein RibD that catalyses the following reactions:
2-hydroxy-3-oxobutyl phosphate + 5-amino-6-(D-ribitylamino)uracil => 6,7-dimethyl-8-(1-D-ribityl)lumazine + H(2)O + 1 phosphate and 6,7-dimethyl-8-(1-D-ribityl)lumazine => 5-amino-6-(D-ribitylamino)uracil + riboflavin1-(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino-1-deoxy-D-ribitol4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine5-amino-2,6-dioxo-4-ribitylaminopyrimidine5-Amino-6-(1-D-ribitylamino)uracil5-amino-6-(2S,3S,4R)-2,3,4,5-tetrahydroxypentylamino-1H-pyrimidine-2,4-dione5-amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione5-Amino-6-ribitylaminouracil5-arpd6-(1-D-Ribitylamino)-5-amino-2,4-dihydroxypyrimidine6-(1-D-Ribitylamino)-5-aminouracilC9H16N4O6276.2465276.1069842645-amino-6-{[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione5-arpdNC1=C(NC[C@H](O)[C@H](O)[C@H](O)CO)NC(=O)NC1=OInChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)/t3-,4+,6-/m0/s1XKQZIXVJVUPORE-RPDRRWSUSA-Nlogp-2.44logs-1.29solubility1.43e+01 g/llogp-4.4pka_strongest_acidic8.48pka_strongest_basic-2.7iupac5-amino-6-{[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dioneaverage_mass276.2465mono_mass276.106984264smilesNC1=C(NC[C@H](O)[C@H](O)[C@H](O)CO)NC(=O)NC1=OformulaC9H16N4O6inchiInChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)/t3-,4+,6-/m0/s1inchikeyXKQZIXVJVUPORE-RPDRRWSUSA-Npolar_surface_area177.17refractivity71.48polarizability25.82rotatable_bond_count6acceptor_count8donor_count8physiological_charge0formal_charge0Specdb::CMs3313Specdb::CMs146953Specdb::CMs152133Specdb::CMs279561Specdb::NmrOneD92652Specdb::NmrOneD92653Specdb::NmrOneD92654Specdb::NmrOneD92655Specdb::NmrOneD92656Specdb::NmrOneD92657Specdb::NmrOneD92658Specdb::NmrOneD92659Specdb::NmrOneD92660Specdb::NmrOneD92661Specdb::NmrOneD92662Specdb::NmrOneD92663Specdb::NmrOneD92664Specdb::NmrOneD92665Specdb::NmrOneD92666Specdb::NmrOneD92667Specdb::NmrOneD92668Specdb::NmrOneD92669Specdb::NmrOneD92670Specdb::NmrOneD92671Specdb::MsMs28685Specdb::MsMs28686Specdb::MsMs28687Specdb::MsMs35243Specdb::MsMs35244Specdb::MsMs35245Specdb::MsMs2721492Specdb::MsMs2721493Specdb::MsMs2721494Specdb::MsMs2960799Specdb::MsMs2960800Specdb::MsMs2960801C0473215934Riboflavin synthase alpha chainP0AFU8RISA_ECOLIribEhttp://ecmdb.ca/proteins/P0AFU8.xml6,7-dimethyl-8-ribityllumazine synthaseP61714RISB_ECOLIribHhttp://ecmdb.ca/proteins/P61714.xml