1.0 2011-09-21 00:28:42 UTC 2015-07-21 06:57:39 UTC FDB023360 5-Pyridoxolactone 5-Pyridoxolactone is a normal human metabolite of vitamin B6 metabolism. (PMIDs 9211301, 14995036) [HMDB] 3-Carboxy-4-(hydroxymethyl)-5-hydroxy-6-methylpyridine lactone 5-Pyridoxate lactone 5-Pyridoxic acid g-lactone 5-pyridoxic acid lactone a-Pyracin alpha-Pyracin Pyracin-5 Pyridoxic acid gamma-lactone C8H7NO3 165.1461 165.042593095 7-hydroxy-6-methyl-1H,3H-furo[3,4-c]pyridin-3-one 5-pyridoxolactone 4543-56-0 CC1=NC=C2C(=O)OCC2=C1O InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3 PPAXBSPBIWBREI-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Pyridinecarboxylic acids Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Lactones Methylpyridines Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Azacycle Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Lactone Methylpyridine Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyridine carboxylic acid a small molecule furopyridine lactone phenols Solid logp 0.42 ALOGPS logs -1.01 ALOGPS solubility 1.63e+01 g/l ALOGPS logp 0.14 ChemAxon pka_strongest_acidic 7.92 ChemAxon pka_strongest_basic 4.16 ChemAxon iupac 7-hydroxy-6-methyl-1H,3H-furo[3,4-c]pyridin-3-one ChemAxon average_mass 165.1461 ChemAxon mono_mass 165.042593095 ChemAxon smiles CC1=NC=C2C(=O)OCC2=C1O ChemAxon formula C8H7NO3 ChemAxon inchi InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3 ChemAxon inchikey PPAXBSPBIWBREI-UHFFFAOYSA-N ChemAxon polar_surface_area 59.42 ChemAxon refractivity 41.05 ChemAxon polarizability 15.44 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2184 Specdb::MsIr 2185 Specdb::MsIr 2186 Specdb::NmrOneD 48102 Specdb::NmrOneD 48103 Specdb::NmrOneD 48104 Specdb::NmrOneD 48105 Specdb::NmrOneD 48106 Specdb::NmrOneD 48107 Specdb::NmrOneD 48108 Specdb::NmrOneD 48109 Specdb::NmrOneD 48110 Specdb::NmrOneD 48111 Specdb::NmrOneD 48112 Specdb::NmrOneD 48113 Specdb::NmrOneD 48114 Specdb::NmrOneD 48115 Specdb::NmrOneD 48116 Specdb::NmrOneD 48117 Specdb::NmrOneD 48118 Specdb::NmrOneD 48119 Specdb::NmrOneD 48120 Specdb::NmrOneD 48121 Specdb::CMs 17548 Specdb::CMs 38751 Specdb::CMs 148728 Specdb::MsMs 304840 Specdb::MsMs 304841 Specdb::MsMs 304842 Specdb::MsMs 348136 Specdb::MsMs 348137 Specdb::MsMs 348138 Specdb::MsMs 2731573 Specdb::MsMs 2731574 Specdb::MsMs 2731575 Specdb::MsMs 2977436 Specdb::MsMs 2977437 Specdb::MsMs 2977438 HMDB04291 2124 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823