1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:47 UTC FDB018163 Avenic acid B Constituent of the roots of Avena sativa (oats). Avenic acid B is found in oat and cereals and cereal products. N-(3-Carboxy-3-hydroxypropyl)-L-homoserine, 9CI N-[(3S)-3-carboxy-3-hydroxypropyl]-L-homoserine C8H15NO6 221.2078 221.089937217 4-[(1-carboxy-3-hydroxypropyl)amino]-2-hydroxybutanoic acid 4-[(1-carboxy-3-hydroxypropyl)amino]-2-hydroxybutanoic acid 76224-58-3 OCCC(NCCC(O)C(O)=O)C(O)=O InChI=1S/C8H15NO6/c10-4-2-5(7(12)13)9-3-1-6(11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15) YVTYLIZWVFUUMH-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Gamma amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds 1,3-aminoalcohols Alpha amino acids Alpha hydroxy acids and derivatives Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Monosaccharides Organic oxides Organopnictogen compounds Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives 1,3-aminoalcohol Alcohol Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-hydroxy acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Gamma amino acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Short-chain hydroxy acid logp -2.08 ALOGPS logs -0.76 ALOGPS solubility 3.86e+01 g/l ALOGPS logp -4.6 ChemAxon pka_strongest_acidic 1.48 ChemAxon pka_strongest_basic 9.91 ChemAxon iupac 4-[(1-carboxy-3-hydroxypropyl)amino]-2-hydroxybutanoic acid ChemAxon average_mass 221.2078 ChemAxon mono_mass 221.089937217 ChemAxon smiles OCCC(NCCC(O)C(O)=O)C(O)=O ChemAxon formula C8H15NO6 ChemAxon inchi InChI=1S/C8H15NO6/c10-4-2-5(7(12)13)9-3-1-6(11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15) ChemAxon inchikey YVTYLIZWVFUUMH-UHFFFAOYSA-N ChemAxon polar_surface_area 127.09 ChemAxon refractivity 48.67 ChemAxon polarizability 21.35 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21451 Specdb::CMs 46032 Specdb::CMs 161557 Specdb::MsMs 12251 Specdb::MsMs 12252 Specdb::MsMs 12253 Specdb::MsMs 18923 Specdb::MsMs 18924 Specdb::MsMs 18925 Specdb::MsMs 2839779 Specdb::MsMs 2839780 Specdb::MsMs 2839781 Specdb::MsMs 2869086 Specdb::MsMs 2869087 Specdb::MsMs 2869088 Specdb::NmrOneD 29022 Specdb::NmrOneD 29023 Specdb::NmrOneD 29024 Specdb::NmrOneD 29025 Specdb::NmrOneD 29026 Specdb::NmrOneD 29027 Specdb::NmrOneD 29028 Specdb::NmrOneD 29029 Specdb::NmrOneD 29030 Specdb::NmrOneD 29031 Specdb::NmrOneD 29032 Specdb::NmrOneD 29033 Specdb::NmrOneD 29034 Specdb::NmrOneD 29035 Specdb::NmrOneD 29036 Specdb::NmrOneD 29037 Specdb::NmrOneD 29038 Specdb::NmrOneD 29039 Specdb::NmrOneD 29040 Specdb::NmrOneD 29041 HMDB38751 38156 #<Reference:0x000055ce2d05ab80> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Oat Type 1 specific Avena sativa 4498