1.0 2016-09-30 22:41:10 UTC 2020-05-21 16:28:29 UTC BMDB0001106 BMDB01106 3-Aminopropionaldehyde 3-Aminopropionaldehyde, also known as 3-aminopropanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 3-Aminopropionaldehyde is possibly soluble (in water) and a very strong basic compound (based on its pKa). 3-Aminopropionaldehyde exists in all living species, ranging from bacteria to humans. 3-Aminopropionaldehyde participates in a number of enzymatic reactions, within cattle. In particular, 3-Aminopropionaldehyde can be converted into beta-alanine through the action of the enzyme aldehyde dehydrogenase, mitochondrial. In addition, 3-Aminopropionaldehyde can be biosynthesized from 1,3-diaminopropane through its interaction with the enzyme membrane primary amine oxidase. In cattle, 3-aminopropionaldehyde is involved in the metabolic pathway called the beta-alanine metabolism pathway. beta-Aminopropion aldehyde b-Aminopropion aldehyde Β-aminopropion aldehyde 3-Aminopropanal C3H7NO 73.0938 73.052763851 3-aminopropanal 3-aminopropanal 352-92-1 NCCC=O InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2 PCXDJQZLDDHMGX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-hydrogen aldehyde Amine Hydrocarbon derivative Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds propanals Solid logp -1.23 ALOGPS logs 0.78 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 14.19 ChemAxon pka_strongest_basic 9.68 ChemAxon iupac 3-aminopropanal ChemAxon average_mass 73.0938 ChemAxon mono_mass 73.052763851 ChemAxon smiles NCCC=O ChemAxon formula C3H7NO ChemAxon inchi InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2 ChemAxon inchikey PCXDJQZLDDHMGX-UHFFFAOYSA-N ChemAxon polar_surface_area 43.09 ChemAxon refractivity 19.78 ChemAxon polarizability 7.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 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 beta-Alanine Metabolism SMP0087180 Specdb::CMs 3363 Specdb::CMs 146299 Specdb::MsIr 1074 Specdb::MsIr 1075 Specdb::MsIr 1076 Specdb::MsMs 20177 Specdb::MsMs 20178 Specdb::MsMs 20179 Specdb::MsMs 21728 Specdb::MsMs 21729 Specdb::MsMs 21730 Specdb::MsMs 2743201 Specdb::MsMs 2743202 Specdb::MsMs 2743203 Specdb::MsMs 2935517 Specdb::MsMs 2935518 Specdb::MsMs 2935519 Specdb::NmrOneD 8622 Specdb::NmrOneD 8623 Specdb::NmrOneD 8624 Specdb::NmrOneD 8625 Specdb::NmrOneD 8626 Specdb::NmrOneD 8627 Specdb::NmrOneD 8628 Specdb::NmrOneD 8629 Specdb::NmrOneD 8630 Specdb::NmrOneD 8631 Specdb::NmrOneD 8632 Specdb::NmrOneD 8633 Specdb::NmrOneD 8634 Specdb::NmrOneD 8635 Specdb::NmrOneD 8636 Specdb::NmrOneD 8637 Specdb::NmrOneD 8638 Specdb::NmrOneD 8639 Specdb::NmrOneD 8640 Specdb::NmrOneD 8641 Milk By GC-TOFMS and UPLC-QTOFMS Qian L, Zhao A, Zhang Y, Chen T, Zeisel SH, Jia W, Cai W: Metabolomic Approaches to Explore Chemical Diversity of Human Breast-Milk, Formula Milk and Bovine Milk. Int J Mol Sci. 2016 Dec 17;17(12). pii: ijms17122128. doi: 10.3390/ijms17122128. 27999311 C05665 74 FDB030407 75 18090 CPD-6082 46232 6007 Bott, Kaspar. Amidomethylation of trichloroethylene and acetylene: syntheses of N-protected a-chloro-b-alanines and b-aminopropanals. Journal of the Chemical Society [Section] D: Chemical Communications (1969), (22), 1304. Qian L, Zhao A, Zhang Y, Chen T, Zeisel SH, Jia W, Cai W: Metabolomic Approaches to Explore Chemical Diversity of Human Breast-Milk, Formula Milk and Bovine Milk. Int J Mol Sci. 2016 Dec 17;17(12). pii: ijms17122128. doi: 10.3390/ijms17122128. 27999311 BMDBP00095 Membrane primary amine oxidase Q9TTK6 AOC3 Enzyme