1.0 2011-09-21 00:17:58 UTC 2015-07-21 06:57:19 UTC FDB022688 1,5-Dihydroriboflavin Riboflavin reduced is an intermediate in the metabolism of Porphyrin and chlorophyll. It is a substrate for Flavin reductase. [HMDB] 4a,5-Dihydroriboflavin 4a,5-Dihydroriboflavine 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dione Reduced riboflavin C17H22N4O6 378.3798 378.153934456 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H,2H,3H,4H,5H,10H-benzo[g]pteridine-2,4-dione reduced riboflavin 101652-10-2 CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=C(NC2=C1)C(=O)NC(=O)N3 InChI=1S/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,18,22-25H,5-6H2,1-2H3,(H2,19,20,26,27)/t11-,12+,14-/m0/s1 SGSVWAYHEWEQET-SCRDCRAPSA-N belongs to the class of organic compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. Flavins Organic compounds Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Aromatic heteropolycyclic compounds Alkyldiarylamines Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organopnictogen compounds Pentoses Polyols Primary alcohols Pyrimidones Secondary alcohols Secondary amines Ureas Vinylogous amides Alcohol Alkyldiarylamine Amine Aromatic heteropolycyclic compound Azacycle Benzenoid Flavin Heteroaromatic compound Hydrocarbon derivative Lactam Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pentose monosaccharide Polyol Primary alcohol Pyrimidine Pyrimidone Secondary alcohol Secondary amine Urea Vinylogous amide 1,5-dihydroflavin dihydroriboflavins Solid logp 0.77 ALOGPS logs -1.96 ALOGPS solubility 4.13e+00 g/l ALOGPS logp -0.99 ChemAxon pka_strongest_acidic 8.2 ChemAxon pka_strongest_basic -0.52 ChemAxon iupac 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H,2H,3H,4H,5H,10H-benzo[g]pteridine-2,4-dione ChemAxon average_mass 378.3798 ChemAxon mono_mass 378.153934456 ChemAxon smiles CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=C(NC2=C1)C(=O)NC(=O)N3 ChemAxon formula C17H22N4O6 ChemAxon inchi InChI=1S/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,18,22-25H,5-6H2,1-2H3,(H2,19,20,26,27)/t11-,12+,14-/m0/s1 ChemAxon inchikey SGSVWAYHEWEQET-SCRDCRAPSA-N ChemAxon polar_surface_area 154.39 ChemAxon refractivity 107.64 ChemAxon polarizability 38.52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 23396 Specdb::MsMs 23397 Specdb::MsMs 23398 Specdb::MsMs 30194 Specdb::MsMs 30195 Specdb::MsMs 30196 HMDB01557