2.0 2012-05-31 13:45:16 -0600 2015-06-03 15:53:44 -0600 ECMDB01106 M2MDB000255 3-Aminopropionaldehyde 3-Aminopropanal is a reactive aldehyde. 3-Aminopropanal 3-Aminopropionaldehyde b-Aminopropion aldehyde Beta-Aminopropion aldehyde β-Aminopropion aldehyde 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 Solid Cytoplasm Periplasm logp -1.23 ALOGPS logs 0.78 ALOGPS solubility 4.44e+02 g/l 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 beta-Alanine metabolism The Beta-Alanine Metabolism starts with a product of Aspartate metabolism. Aspartate is decarboxylated by aspartate 1-decarboxylase, releasing carbon dioxide and Beta-alanine. Beta alanine is then metabolized through a pantothenate synthetase resulting in Pantothenic acid undergoes phosphorylation through a ATP driven pantothenate kinase, resulting in D-4-phosphopantothenate. Pantothenate (vitamin B5) is the universal precursor for the synthesis of the 4'-phosphopantetheine moiety of coenzyme A and acyl carrier protein. Only plants and microorganismscan synthesize pantothenate de novo - animals require a dietary supplement. The enzymes of this pathway are therefore considered to be antimicrobial drug targets. PW000896 ec00410 Metabolic Specdb::CMs 3363 Specdb::CMs 146299 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 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 HMDB01106 75 74 C05665 18090 3-AMINO-PROPANAL Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Ivanova S, Batliwalla F, Mocco J, Kiss S, Huang J, Mack W, Coon A, Eaton JW, Al-Abed Y, Gregersen PK, Shohami E, Connolly ES Jr, Tracey KJ: Neuroprotection in cerebral ischemia by neutralization of 3-aminopropanal. Proc Natl Acad Sci U S A. 2002 Apr 16;99(8):5579-84. Epub 2002 Apr 9. 11943872 Yu Z, Li W, Hillman J, Brunk UT: Human neuroblastoma (SH-SY5Y) cells are highly sensitive to the lysosomotropic aldehyde 3-aminopropanal. Brain Res. 2004 Aug 6;1016(2):163-9. 15246852 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. Primary amine oxidase P46883 AMO_ECOLI tynA http://ecmdb.ca/proteins/P46883.xml 1,3-Diaminopropane + Oxygen + Water <> 3-Aminopropionaldehyde + Ammonia + Hydrogen peroxide R03139