1.0 2011-09-21 00:07:39 UTC 2019-11-26 03:21:01 UTC FDB022051 N-Alpha-acetyllysine N-Alpha-acetyllysine is a N-acetylated amino acid. It is a normal constituent of human urine with concentrations in normal samples too small to allow its routine detection; however, it has been found at increased levels in the urine of a patient with aminoacylase I deficiency. (PMID 16274666) [HMDB] 6-amino-l-2-acetamidohexanoate 6-amino-l-2-acetamidohexanoic acid Acetyllysine N-a-Acetyl-L-lysine N-a-Acetyllysine N-Acetyl poly-L-lysine N-Acetyl-L-lysine N-alpha-Acetyl-L-Lysine N-alpha-Acetyllysine N2-acetyl-L-Lysine N2-Acetyllysine C8H16N2O3 188.2242 188.116092388 6-amino-2-acetamidohexanoic acid 6-amino-2-acetamidohexanoic acid 1946-82-3 CC(=O)NC(CCCCN)C(O)=O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Acetamides Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Acetamide Aliphatic acyclic compound Amine Amino acid Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Solid logp -2.39 ALOGPS logs -1.87 ALOGPS solubility 2.54e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.89 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac 6-amino-2-acetamidohexanoic acid ChemAxon average_mass 188.2242 ChemAxon mono_mass 188.116092388 ChemAxon smiles CC(=O)NC(CCCCN)C(O)=O ChemAxon formula C8H16N2O3 ChemAxon inchi InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) ChemAxon inchikey VEYYWZRYIYDQJM-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 47.25 ChemAxon polarizability 19.84 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1317 Specdb::NmrOneD 1373 Specdb::NmrOneD 4584 Specdb::CMs 3124 Specdb::CMs 37540 Specdb::MsMs 650 Specdb::MsMs 651 Specdb::MsMs 652 Specdb::MsMs 179553 Specdb::MsMs 179554 Specdb::MsMs 179555 Specdb::MsMs 181884 Specdb::MsMs 181885 Specdb::MsMs 181886 HMDB00446 35704 #<Reference:0x000055ce31aa8c28> Milk (Cow) Type 2 specific