1.0 2016-09-30 22:43:34 UTC 2020-05-19 22:01:23 UTC BMDB0001280 BMDB01280 2-Aminomuconic acid semialdehyde 2-Aminomuconic acid semialdehyde belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-Aminomuconic acid semialdehyde is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-Aminomuconic acid semialdehyde exists in all living organisms, ranging from bacteria to humans. 2-Aminomuconic acid semialdehyde can be biosynthesized from 2-amino-3-carboxymuconic acid semialdehyde; which is catalyzed by the enzyme 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase. In cattle, 2-aminomuconic acid semialdehyde is involved in the metabolic pathway called the tryptophan metabolism pathway. 2-Aminomuconate 6-semialdehyde 2-Aminomuconate semialdehyde 2-Aminomuconic semialdehyde 2-Aminomuconic acid 6-semialdehyde C6H7NO3 141.1247 141.042593095 (2E,4Z)-2-amino-6-oxohexa-2,4-dienoic acid 2-aminomuconic semialdehyde 245128-91-0 N\C(=C\C=C/C=O)C(O)=O InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+ QCGTZPZKJPTAEP-REDYYMJGSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Aldehydes Amino acids Amino fatty acids Carboxylic acids Enals Enamines Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Unsaturated fatty acids Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Enal Enamine Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Unsaturated fatty acid Aliphatic acyclic compounds Oxo fatty acids alpha,beta-unsaturated monocarboxylic acid muconic semialdehyde Solid logp -0.14 ALOGPS logs -1.38 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 2.76 ChemAxon pka_strongest_basic 7.72 ChemAxon iupac (2E,4Z)-2-amino-6-oxohexa-2,4-dienoic acid ChemAxon average_mass 141.1247 ChemAxon mono_mass 141.042593095 ChemAxon smiles N\C(=C\C=C/C=O)C(O)=O ChemAxon formula C6H7NO3 ChemAxon inchi InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+ ChemAxon inchikey QCGTZPZKJPTAEP-REDYYMJGSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 37.63 ChemAxon polarizability 12.96 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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 Tryptophan Metabolism SMP0087237 Specdb::MsIr 1183 Specdb::MsIr 1184 Specdb::MsIr 1185 Specdb::CMs 23309 Specdb::CMs 38008 Specdb::CMs 162144 Specdb::MsMs 317698 Specdb::MsMs 317699 Specdb::MsMs 317700 Specdb::MsMs 364240 Specdb::MsMs 364241 Specdb::MsMs 364242 Specdb::MsMs 2355186 Specdb::MsMs 2355187 Specdb::MsMs 2355188 Specdb::MsMs 2606614 Specdb::MsMs 2606615 Specdb::MsMs 2606616 C03824 FDB022532 4444230 5280625 15745 C00007492 1445635 6133 BMDBP00639 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase Q0II68 ACMSD Enzyme