1.0 2010-04-08 22:06:55 UTC 2025-11-18 23:00:33 UTC FDB005959 Mannuronic acid Mannuronic acid, also known as mannuronate, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Mannuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Mannuronic acid can be found in flaxseed, which makes mannuronic acid a potential biomarker for the consumption of this food product. C6H10O7 194.139 194.042652662 (2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid D-mannuronic acid [H][C@@](O)(C=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C(O)=O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5+/m1/s1 IAJILQKETJEXLJ-MBMOQRBOSA-N belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Glucuronic acid derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic acyclic compounds Alpha hydroxy acids and derivatives Alpha-hydroxyaldehydes Beta hydroxy acids and derivatives Beta-hydroxy aldehydes Carboxylic acids Hexoses Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Medium-chain hydroxy acids and derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Alcohol Aldehyde Aliphatic acyclic compound Alpha-hydroxy acid Alpha-hydroxyaldehyde Beta-hydroxy acid Beta-hydroxy aldehyde Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Polyol Secondary alcohol logp -2.32 ALOGPS logs -0.29 ALOGPS solubility 1.00e+02 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid ChemAxon average_mass 194.139 ChemAxon mono_mass 194.042652662 ChemAxon smiles [H][C@@](O)(C=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C(O)=O ChemAxon formula C6H10O7 ChemAxon inchi InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5+/m1/s1 ChemAxon inchikey IAJILQKETJEXLJ-MBMOQRBOSA-N ChemAxon polar_surface_area 135.29 ChemAxon refractivity 37.21 ChemAxon polarizability 16.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66210 Specdb::MsMs 66211 Specdb::MsMs 66212 Specdb::MsMs 123717 Specdb::MsMs 123718 Specdb::MsMs 123719 Specdb::MsMs 3602351 Specdb::MsMs 3602352 Specdb::MsMs 3602353 Specdb::MsMs 3602354 Specdb::MsMs 3602355 Specdb::MsMs 3602356 Flaxseed Type 1 specific Linum usitatissimum 4006