1.0 2016-09-30 22:41:39 UTC 2020-04-21 18:24:46 UTC BMDB0001142 BMDB01142 FMNH 1,5-Dihydroriboflavin 5'-(dihydrogen phosphate) Flavin mononucleotide (reduced) FMNH Reduced FMN 1,5-Dihydroriboflavin 5'-(dihydrogen phosphoric acid) Reduced flavin mononucleotide Flavin mononucleotide hydroquinone C17H23N4O9P 458.3597 458.120264866 {[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid fmnh(.) 5666-16-0 CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1 InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1 YTNIXZGTHTVJBW-SCRDCRAPSA-N belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions. Organic compounds Nucleosides, nucleotides, and analogues Flavin nucleotides Flavin nucleotides Alkyldiarylamines Azacyclic compounds Benzenoids Flavins Heteroaromatic compounds Hydrocarbon derivatives Lactams Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organopnictogen compounds Polyols Pyrimidones Secondary alcohols Secondary amines Ureas Vinylogous amides Alcohol Alkyl phosphate Alkyldiarylamine Amine Aromatic heteropolycyclic compound Azacycle Benzenoid Flavin Flavin nucleotide Heteroaromatic compound Hydrocarbon derivative Lactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoric acid ester Polyol Pteridine Pyrimidine Pyrimidone Secondary alcohol Secondary amine Urea Vinylogous amide Aromatic heteropolycyclic compounds flavin mononucleotide Solid logp -0.17 ALOGPS logs -2.85 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 1.5 ChemAxon pka_strongest_basic -0.52 ChemAxon iupac {[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid ChemAxon average_mass 458.3597 ChemAxon mono_mass 458.120264866 ChemAxon smiles CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1 ChemAxon formula C17H23N4O9P ChemAxon inchi InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1 ChemAxon inchikey YTNIXZGTHTVJBW-SCRDCRAPSA-N ChemAxon polar_surface_area 200.92 ChemAxon refractivity 118.51 ChemAxon polarizability 41.65 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17138 Specdb::CMs 37945 Specdb::CMs 154605 Specdb::NmrOneD 8742 Specdb::NmrOneD 8743 Specdb::NmrOneD 8744 Specdb::NmrOneD 8745 Specdb::NmrOneD 8746 Specdb::NmrOneD 8747 Specdb::NmrOneD 8748 Specdb::NmrOneD 8749 Specdb::NmrOneD 8750 Specdb::NmrOneD 8751 Specdb::NmrOneD 8752 Specdb::NmrOneD 8753 Specdb::NmrOneD 8754 Specdb::NmrOneD 8755 Specdb::NmrOneD 8756 Specdb::NmrOneD 8757 Specdb::NmrOneD 8758 Specdb::NmrOneD 8759 Specdb::NmrOneD 8760 Specdb::NmrOneD 8761 Specdb::MsMs 25160 Specdb::MsMs 25161 Specdb::MsMs 25162 Specdb::MsMs 31718 Specdb::MsMs 31719 Specdb::MsMs 31720 Specdb::MsMs 2834274 Specdb::MsMs 2834275 Specdb::MsMs 2834276 Specdb::MsMs 2871947 Specdb::MsMs 2871948 Specdb::MsMs 2871949 C01847 FDB022449 393046 445395 16048 FMNH2 6034