1.0 2011-09-21 01:54:25 UTC 2015-07-21 06:59:41 UTC FDB029349 gamma-delta-Dioxovaleric acid gamma-delta-Dioxovaleric acid (DOVA) is the final oxidation product of 5-aminolevulinic acid, a precursor of porphyrin in the biosynthesis of heme. It can accumulate in liver, brain, and other organs under pathological conditions such as acute intermittent porphyria. [HMDB] 4-Oxoglutarate semialdehyde 4-Oxoglutaric acid semialdehyde 4,5-Dioxopentanoate 4,5-Dioxopentanoic acid C5H6O4 130.0987 130.02660868 4,5-dioxopentanoic acid 4,5-dioxopentanoic acid OC(=O)CCC(=O)C=O InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9) YHUFRVYVNKGICT-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 Aliphatic acyclic compounds Alpha ketoaldehydes Carboxylic acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Short-chain keto acids and derivatives Aldehyde Aliphatic acyclic compound Alpha-ketoaldehyde Carbonyl group Carboxylic acid Carboxylic acid derivative Gamma-keto acid Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Short-chain keto acid dioxo monocarboxylic acid Solid logp -0.41 ALOGPS logs -0.35 ALOGPS solubility 5.87e+01 g/l ALOGPS logp 0.021 ChemAxon pka_strongest_acidic 3.83 ChemAxon pka_strongest_basic -8.2 ChemAxon iupac 4,5-dioxopentanoic acid ChemAxon average_mass 130.0987 ChemAxon mono_mass 130.02660868 ChemAxon smiles OC(=O)CCC(=O)C=O ChemAxon formula C5H6O4 ChemAxon inchi InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9) ChemAxon inchikey YHUFRVYVNKGICT-UHFFFAOYSA-N ChemAxon polar_surface_area 71.44 ChemAxon refractivity 27.94 ChemAxon polarizability 11.22 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2880 Specdb::MsIr 2881 Specdb::MsIr 2882 Specdb::CMs 16848 Specdb::CMs 40091 Specdb::CMs 135966 Specdb::CMs 143700 Specdb::MsMs 303235 Specdb::MsMs 303236 Specdb::MsMs 303237 Specdb::MsMs 346144 Specdb::MsMs 346145 Specdb::MsMs 346146 Specdb::MsMs 2821991 Specdb::MsMs 2821992 Specdb::MsMs 2821993 Specdb::MsMs 2859748 Specdb::MsMs 2859749 Specdb::MsMs 2859750 Specdb::NmrOneD 99378 Specdb::NmrOneD 99379 Specdb::NmrOneD 99380 Specdb::NmrOneD 99381 Specdb::NmrOneD 99382 Specdb::NmrOneD 99383 Specdb::NmrOneD 99384 Specdb::NmrOneD 99385 Specdb::NmrOneD 99386 Specdb::NmrOneD 99387 Specdb::NmrOneD 99388 Specdb::NmrOneD 99389 Specdb::NmrOneD 99390 Specdb::NmrOneD 99391 Specdb::NmrOneD 99392 Specdb::NmrOneD 99393 Specdb::NmrOneD 99394 Specdb::NmrOneD 99395 Specdb::NmrOneD 99396 Specdb::NmrOneD 99397 HMDB13233 HKV