1.0 2011-09-21 00:40:45 UTC 2015-07-21 06:58:01 UTC FDB024160 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate is an intermediate in vitamin B6 metabolism(KEGG ID C06050). It is the 4th to last step in the synthesis of succinate semialdehyde, which is an intermediate in butanoate metabolism. 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate is converted from 4-pyridoxate and is then converted to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate. [HMDB] 5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate 5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid C8H7NO4 181.1455 181.037507717 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid CC1=NC=C(C=O)C(C(O)=O)=C1O InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13) JTWNWNJMNSJYDL-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 heteromonocyclic compounds Aryl-aldehydes Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Methylpyridines Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridine carboxaldehydes Vinylogous acids 3-pyridine carboxaldehyde Aldehyde Aromatic heteromonocyclic compound Aryl-aldehyde Azacycle Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Methylpyridine Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid Vinylogous acid methylpyridines monohydroxypyridine pyridinecarbaldehyde Solid logp 0.50 ALOGPS logs -1.60 ALOGPS solubility 4.58e+00 g/l ALOGPS logp 0.38 ChemAxon pka_strongest_acidic 4.29 ChemAxon pka_strongest_basic 2.65 ChemAxon iupac 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid ChemAxon average_mass 181.1455 ChemAxon mono_mass 181.037507717 ChemAxon smiles CC1=NC=C(C=O)C(C(O)=O)=C1O ChemAxon formula C8H7NO4 ChemAxon inchi InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13) ChemAxon inchikey JTWNWNJMNSJYDL-UHFFFAOYSA-N ChemAxon polar_surface_area 87.49 ChemAxon refractivity 44.31 ChemAxon polarizability 16.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Vitamin B6 Metabolism SMP00017 map00750 Specdb::MsMs 324907 Specdb::MsMs 324908 Specdb::MsMs 324909 Specdb::MsMs 373444 Specdb::MsMs 373445 Specdb::MsMs 373446 Specdb::MsMs 2264970 Specdb::MsMs 2264971 Specdb::MsMs 2264972 Specdb::MsMs 3074046 Specdb::MsMs 3074047 Specdb::MsMs 3074048 Specdb::CMs 26565 Specdb::CMs 39148 Specdb::CMs 165306 Specdb::MsIr 2450 Specdb::MsIr 2451 Specdb::MsIr 2452 Specdb::NmrOneD 92132 Specdb::NmrOneD 92133 Specdb::NmrOneD 92134 Specdb::NmrOneD 92135 Specdb::NmrOneD 92136 Specdb::NmrOneD 92137 Specdb::NmrOneD 92138 Specdb::NmrOneD 92139 Specdb::NmrOneD 92140 Specdb::NmrOneD 92141 Specdb::NmrOneD 92142 Specdb::NmrOneD 92143 Specdb::NmrOneD 92144 Specdb::NmrOneD 92145 Specdb::NmrOneD 92146 Specdb::NmrOneD 92147 Specdb::NmrOneD 92148 Specdb::NmrOneD 92149 Specdb::NmrOneD 92150 Specdb::NmrOneD 92151 HMDB06954 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