1.0 2016-09-30 22:48:22 UTC 2020-04-22 15:08:55 UTC BMDB0001865 BMDB01865 2-Oxovaleric acid 2-Ketopentanoic acid 2-Oxovalerate alpha-Ketovaleric acid 2-Oxopentanoate 2-Ketopentanoate a-Ketovalerate a-Ketovaleric acid alpha-Ketovalerate Α-ketovalerate Α-ketovaleric acid 2-Oxopentanoic acid .alpha.-keto-N-valeric acid 2-keto Valeric acid 2-keto-N-Valeric acid 2-Ketovaleric acid 2-oxo-N-Valeric acid 2-oxo-Pentanoate 2-oxo-Pentanoic acid 2-oxo-Valeric acid a-keto-Valeric acid a-oxo-N-Valeric acid a-Oxopentanoate a-Oxopentanoic acid a-Oxovaleric acid alpha-keto-Valeric acid alpha-oxo-N-Valeric acid alpha-Oxopentanoate alpha-Oxopentanoic acid alpha-Oxovaleric acid 2-Ketopentanoic acid, sodium salt 2-Ketovalerate 2-Oxovaleric acid 2-Keto valerate C5H8O3 116.1152 116.047344122 2-oxopentanoic acid α-oxopentanoic acid 1821-02-9 CCCC(=O)C(O)=O InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8) KDVFRMMRZOCFLS-UHFFFAOYSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Short-chain keto acids and derivatives Alpha-hydroxy ketones Alpha-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl Hydrocarbon derivative Ketone Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Short-chain keto acid Aliphatic acyclic compounds 2-oxo monocarboxylic acid Oxo fatty acids Oxo fatty acids oxopentanoic acid Liquid melting_point 6.5 °C logp 0.35 logp 0.48 ALOGPS logs -0.55 ALOGPS logp 1.21 ChemAxon pka_strongest_acidic 3.38 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac 2-oxopentanoic acid ChemAxon average_mass 116.1152 ChemAxon mono_mass 116.047344122 ChemAxon smiles CCCC(=O)C(O)=O ChemAxon formula C5H8O3 ChemAxon inchi InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8) ChemAxon inchikey KDVFRMMRZOCFLS-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 27.22 ChemAxon polarizability 11.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 6500 Specdb::MsMs 324520 Specdb::MsMs 324521 Specdb::MsMs 324522 Specdb::MsMs 372952 Specdb::MsMs 372953 Specdb::MsMs 372954 Specdb::MsMs 439249 Specdb::MsMs 2795582 Specdb::MsMs 2795583 Specdb::MsMs 2795584 Specdb::MsMs 2887010 Specdb::MsMs 2887011 Specdb::MsMs 2887012 Specdb::NmrOneD 9762 Specdb::NmrOneD 9763 Specdb::NmrOneD 9764 Specdb::NmrOneD 9765 Specdb::NmrOneD 9766 Specdb::NmrOneD 9767 Specdb::NmrOneD 9768 Specdb::NmrOneD 9769 Specdb::NmrOneD 9770 Specdb::NmrOneD 9771 Specdb::NmrOneD 9772 Specdb::NmrOneD 9773 Specdb::NmrOneD 9774 Specdb::NmrOneD 9775 Specdb::NmrOneD 9776 Specdb::NmrOneD 9777 Specdb::NmrOneD 9778 Specdb::NmrOneD 9779 Specdb::NmrOneD 9780 Specdb::NmrOneD 9781 Specdb::MsIr 1399 Specdb::MsIr 1400 Specdb::MsIr 1401 Specdb::CMs 925 Specdb::CMs 947 Specdb::CMs 26397 Specdb::CMs 31357 Specdb::CMs 31358 Specdb::CMs 31964 Specdb::CMs 31965 Specdb::CMs 38154 Specdb::CMs 134342 Specdb::CMs 142076 Muscle Detected by NMR S. F. Graham, T. Kennedy, O. Chevallier, A. Gordon, L. Farmer, C. Elliott, B. Moss. The application of NMR to study changes in polar metabolite concentrations in beef longissimus dorsi stored for different periods post mortem. Metabolomics (2010) 6:395-404 doi: 10.1007/s11306-010-0206-y C06255 FDB003366 67142 74563 33033 C00055637 Lieberman, Irving; Barker, H. A. b-Keto acid formation and decomposition by preparations of Clostridium kluyveri. Journal of Bacteriology (1954), 68 329-33.