1.0 2011-09-21 00:12:40 UTC 2025-11-19 02:41:30 UTC FDB022355 3-Succinoylpyridine 3-succinoylpyridine is the byproduct of tobacco-specific N-nitrosamines generated by the enzyme cytochrome P 450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation. (PMID: 11368333) This nicotine metabolite is commonly found in the urine of smokers. (PMID: 14581070) [HMDB] 4-oxo-4-(3-pyridyl)-butanoate 4-oxo-4-(3-pyridyl)-butanoic acid 4-oxo-4-(3-Pyridyl)-butyrate 4-oxo-4-(3-Pyridyl)-butyric acid 4-oxo-4-(Pyridin-3-yl)butyrate 4-oxo-4-(Pyridin-3-yl)butyric acid g-oxo-3-Pyridinebutanoate g-oxo-3-Pyridinebutanoic acid g-oxo-3-Pyridinebutyrate g-oxo-3-Pyridinebutyric acid gamma-oxo-3-pyridinebutanoate gamma-oxo-3-pyridinebutanoic acid gamma-oxo-3-Pyridinebutyrate gamma-oxo-3-Pyridinebutyric acid γ-oxo-3-pyridinebutanoate γ-oxo-3-pyridinebutanoic acid γ-oxo-3-pyridinebutyrate γ-oxo-3-pyridinebutyric acid C9H9NO3 179.1727 179.058243159 4-oxo-4-(pyridin-3-yl)butanoic acid 3-succinoylpyridine 4192-31-8 OC(=O)CCC(=O)C1=CC=CN=C1 InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13) JGSUNMCABQUBOY-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. Gamma-keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Aromatic heteromonocyclic compounds Aryl alkyl ketones Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Gamma-keto acid Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine aromatic ketone monocarboxylic acid pyridines Solid logp 0.08 ALOGPS logs -1.31 ALOGPS solubility 8.78e+00 g/l ALOGPS logp -0.58 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic 4 ChemAxon iupac 4-oxo-4-(pyridin-3-yl)butanoic acid ChemAxon average_mass 179.1727 ChemAxon mono_mass 179.058243159 ChemAxon smiles OC(=O)CCC(=O)C1=CC=CN=C1 ChemAxon formula C9H9NO3 ChemAxon inchi InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13) ChemAxon inchikey JGSUNMCABQUBOY-UHFFFAOYSA-N ChemAxon polar_surface_area 67.26 ChemAxon refractivity 45.2 ChemAxon polarizability 17.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1022 Specdb::MsIr 1023 Specdb::MsIr 1024 Specdb::CMs 12752 Specdb::CMs 37880 Specdb::CMs 159073 Specdb::CMs 1083125 Specdb::NmrOneD 145970 Specdb::NmrOneD 145971 Specdb::NmrOneD 145972 Specdb::NmrOneD 145973 Specdb::NmrOneD 145974 Specdb::NmrOneD 145975 Specdb::NmrOneD 145976 Specdb::NmrOneD 145977 Specdb::NmrOneD 145978 Specdb::NmrOneD 145979 Specdb::NmrOneD 145980 Specdb::NmrOneD 145981 Specdb::NmrOneD 145982 Specdb::NmrOneD 145983 Specdb::NmrOneD 145984 Specdb::NmrOneD 145985 Specdb::NmrOneD 145986 Specdb::NmrOneD 145987 Specdb::NmrOneD 145988 Specdb::NmrOneD 145989 Specdb::MsMs 294007 Specdb::MsMs 294008 Specdb::MsMs 294009 Specdb::MsMs 334618 Specdb::MsMs 334619 Specdb::MsMs 334620 Specdb::MsMs 2402045 Specdb::MsMs 2402046 Specdb::MsMs 2402047 Specdb::MsMs 2534121 Specdb::MsMs 2534122 Specdb::MsMs 2534123 HMDB00992 #<Reference:0x000055ce32227990> #<Reference:0x000055ce32227788> 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