1.0 2016-09-30 22:41:55 UTC 2020-05-21 16:28:59 UTC BMDB0001167 BMDB01167 Pyruvaldehyde 1,2-Propanedione 2-Ketopropionaldehyde 2-Oxopropanal 2-Oxopropionaldehyde Acetylformaldehyde Acetylformyl alpha-Ketopropionaldehyde CH3COCHO Pyruvic aldehyde a-Ketopropionaldehyde Α-ketopropionaldehyde Aldehyde, pyruvic Oxopropanal 1-Ketopropionaldehyde 2-keto Propionaldehyde 2-oxo-Propionaldehyde Ketopropionaldehyde Methylglyoxal Propanedione Propanolone Pyroracemic aldehyde C3H4O2 72.0627 72.021129372 2-oxopropanal methylglyoxal 78-98-8 CC(=O)C=O InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 AIJULSRZWUXGPQ-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha ketoaldehydes. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alpha ketoaldehydes Hydrocarbon derivatives Ketones Organic oxides Short-chain aldehydes Aliphatic acyclic compound Alpha-ketoaldehyde Hydrocarbon derivative Ketone Organic oxide Short-chain aldehyde Aliphatic acyclic compounds 2-oxo aldehyde a ketoaldehyde propanals Solid melting_point < 25 °C logp -0.38 ALOGPS logs 0.40 ALOGPS logp 0.2 ChemAxon pka_strongest_acidic 16.38 ChemAxon pka_strongest_basic -8 ChemAxon iupac 2-oxopropanal ChemAxon average_mass 72.0627 ChemAxon mono_mass 72.021129372 ChemAxon smiles CC(=O)C=O ChemAxon formula C3H4O2 ChemAxon inchi InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 ChemAxon inchikey AIJULSRZWUXGPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 17.05 ChemAxon polarizability 6.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 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 Glycine and Serine Metabolism SMP0087245 Pyruvaldehyde Degradation SMP0087210 Pyruvate Metabolism SMP0087231 Spermidine and Spermine Biosynthesis SMP0087213 Specdb::MsIr 1108 Specdb::MsIr 1109 Specdb::CMs 3344 Specdb::CMs 161686 Specdb::MsMs 1442 Specdb::MsMs 1443 Specdb::MsMs 1444 Specdb::MsMs 20852 Specdb::MsMs 20853 Specdb::MsMs 20854 Specdb::MsMs 22403 Specdb::MsMs 22404 Specdb::MsMs 22405 Specdb::MsMs 2437012 Specdb::MsMs 2437013 Specdb::MsMs 2437014 Specdb::MsMs 2528988 Specdb::MsMs 2528989 Specdb::MsMs 2528990 Specdb::NmrOneD 21362 Specdb::NmrOneD 21363 Specdb::NmrOneD 21364 Specdb::NmrOneD 21365 Specdb::NmrOneD 21366 Specdb::NmrOneD 21367 Specdb::NmrOneD 21368 Specdb::NmrOneD 21369 Specdb::NmrOneD 21370 Specdb::NmrOneD 21371 Specdb::NmrOneD 21372 Specdb::NmrOneD 21373 Specdb::NmrOneD 21374 Specdb::NmrOneD 21375 Specdb::NmrOneD 21376 Specdb::NmrOneD 21377 Specdb::NmrOneD 21378 Specdb::NmrOneD 21379 Specdb::NmrOneD 21380 Specdb::NmrOneD 21381 Eye Lens Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 880 C00546 17158 857 FDB008295 DB03587 METHYL-GLYOXAL Methylglyoxal C00007562 35307 6049 Zhang, Jing-An; Chen, Yu-Ping. Synthesis of pyruvaldehyde. Jingxi Huagong (2000), 17(9), 507-510. BMDBP00890 Amine oxidase [flavin-containing] A P21398 MAOA Enzyme BMDBP00990 Aldehyde dehydrogenase, mitochondrial P20000 ALDH2 Enzyme BMDBP03189 Lactoylglutathione lyase A4FUZ1 GLO1 Enzyme