1.0 2016-09-30 23:06:11 UTC 2020-04-22 15:12:46 UTC BMDB0003826 BMDB03826 6,7-Dimethyl-8-(1-D-ribityl)lumazine 6,7-Dimethyl-8-(1-D-ribityl)lumazine belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. 6,7-Dimethyl-8-(1-D-ribityl)lumazine is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 6,7-Dimethyl-8-(1-D-ribityl)lumazine exists in all living organisms, ranging from bacteria to humans. In cattle, 6,7-dimethyl-8-(1-D-ribityl)lumazine is involved in the metabolic pathway called the riboflavin metabolism pathway. 1-Deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2H)-pteridinyl)-ribitol 1-Deoxy-1-[6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-ribitol 6,7-Dimethyl-8-(1'-D-ribityl)lumazine 6,7-Dimethyl-8-ribityllumazine 6,7-Dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione DMDRL C13H18N4O6 326.3052 326.122634328 6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)-2,3,4,8-tetrahydropteridine-2,4-dione 6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)-3H-pteridine-2,4-dione 5118-16-1 CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1 InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23) SXDXRJZUAJBNFL-UHFFFAOYSA-N belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pteridines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Pyrazines Pyrimidones Secondary alcohols Vinylogous amides Alcohol Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Pteridine Pyrazine Pyrimidine Pyrimidone Secondary alcohol Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -3.145 logp -1.84 ALOGPS logs -2.42 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 6.97 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)-2,3,4,8-tetrahydropteridine-2,4-dione ChemAxon average_mass 326.3052 ChemAxon mono_mass 326.122634328 ChemAxon smiles CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1 ChemAxon formula C13H18N4O6 ChemAxon inchi InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23) ChemAxon inchikey SXDXRJZUAJBNFL-UHFFFAOYSA-N ChemAxon polar_surface_area 155.05 ChemAxon refractivity 79 ChemAxon polarizability 31.53 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Riboflavin Metabolism SMP0087211 Specdb::CMs 10009 Specdb::CMs 38657 Specdb::MsMs 24431 Specdb::MsMs 24432 Specdb::MsMs 24433 Specdb::MsMs 30989 Specdb::MsMs 30990 Specdb::MsMs 30991 Specdb::NmrOneD 271638 Specdb::NmrOneD 271639 Specdb::NmrOneD 271640 Specdb::NmrOneD 271641 Specdb::NmrOneD 271642 Specdb::NmrOneD 271643 Specdb::NmrOneD 271644 Specdb::NmrOneD 271645 Specdb::NmrOneD 271646 Specdb::NmrOneD 271647 Specdb::NmrOneD 271648 Specdb::NmrOneD 271649 Specdb::NmrOneD 271650 Specdb::NmrOneD 271651 Specdb::NmrOneD 271652 Specdb::NmrOneD 271653 Specdb::NmrOneD 271654 Specdb::NmrOneD 271655 Specdb::NmrOneD 271656 Specdb::NmrOneD 271657 FDB023230 652 C04332 17601 672 DIMETHYL-D-RIBITYL-LUMAZINE