1.0 2010-04-08 22:13:25 UTC 2019-11-26 03:15:29 UTC FDB017958 Isodomoic acid D Isolated from mussel (Mytilus edulis). Isodomoic acid D is found in mollusks. Isodomoic acid D C15H21NO6 311.3303 311.136887409 (2S,3S,4S)-4-[(2Z,4Z,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid (2S,3S,4S)-4-[(2Z,4Z,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid 101977-26-8 CC(\C=C/C=C(\C)C1CNC(C1CC(O)=O)C(O)=O)C(O)=O InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+ VZFRNCSOCOPNDB-VOGDQUTBSA-N belongs to the class of organic compounds known as kainoids. These are non-proteigenous amino acids with a structure characterized by the presence of a pyrrolidine ring bearing two dicarboxylic acid groups. Kainoids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives L-alpha-amino acids Organic oxides Proline and derivatives Pyrrolidine carboxylic acids Tricarboxylic acids and derivatives Aliphatic heteromonocyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Azacycle Carbonyl group Carboxylic acid Hydrocarbon derivative Kainoid skeleton L-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary aliphatic amine Secondary amine Tricarboxylic acid or derivatives logp -1.8 ChemAxon pka_strongest_acidic 1.68 ChemAxon pka_strongest_basic 11.59 ChemAxon iupac (2S,3S,4S)-4-[(2Z,4Z,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid ChemAxon average_mass 311.3303 ChemAxon mono_mass 311.136887409 ChemAxon smiles CC(\C=C/C=C(\C)C1CNC(C1CC(O)=O)C(O)=O)C(O)=O ChemAxon formula C15H21NO6 ChemAxon inchi InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+ ChemAxon inchikey VZFRNCSOCOPNDB-VOGDQUTBSA-N ChemAxon polar_surface_area 123.93 ChemAxon refractivity 79.03 ChemAxon polarizability 31.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Mollusks Unknown generic 6447