1.0 2010-04-08 22:13:25 UTC 2019-11-26 03:15:29 UTC FDB017959 Isodomoic acid F Isolated from mussels. Isodomoic acid F is found in mollusks. Isodomoic acid F C15H21NO6 311.3303 311.136887409 4-[(2Z,4Z,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid 4-[(2Z,4Z,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid 14277-97-5 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 logp -1.8 ChemAxon pka_strongest_acidic 1.68 ChemAxon pka_strongest_basic 11.59 ChemAxon iupac 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 31.03 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon HMDB33939 #<Reference:0x000055ce2ca2f300> Mollusks Unknown generic 6447