1.0 2016-09-30 23:01:18 UTC 2020-05-11 20:02:45 UTC BMDB0002704 BMDB02704 Iduronic acid Iduronate L-Iduronate L-Iduronic acid Acid, iduronic (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxohexanoate Iduronic acid C6H10O7 194.1394 194.042652674 (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid iduronic acid 3402-98-0 O[C@H](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-LECHCGJUSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Glucuronic acid derivatives 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 Aliphatic acyclic compounds Solid logp -2.32 ALOGPS logs -0.29 ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid ChemAxon average_mass 194.1394 ChemAxon mono_mass 194.042652674 ChemAxon smiles O[C@H](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-LECHCGJUSA-N ChemAxon polar_surface_area 135.29 ChemAxon refractivity 37.21 ChemAxon polarizability 16.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1814 Specdb::MsIr 1815 Specdb::MsIr 1816 Specdb::MsMs 75312 Specdb::MsMs 75313 Specdb::MsMs 75314 Specdb::MsMs 134931 Specdb::MsMs 134932 Specdb::MsMs 134933 Specdb::MsMs 2660113 Specdb::MsMs 2660114 Specdb::MsMs 2660115 Specdb::MsMs 3018474 Specdb::MsMs 3018475 Specdb::MsMs 3018476 Specdb::CMs 11142 Specdb::CMs 38462 Specdb::CMs 169559 Specdb::NmrOneD 122818 Specdb::NmrOneD 122819 Specdb::NmrOneD 122820 Specdb::NmrOneD 122821 Specdb::NmrOneD 122822 Specdb::NmrOneD 122823 Specdb::NmrOneD 122824 Specdb::NmrOneD 122825 Specdb::NmrOneD 122826 Specdb::NmrOneD 122827 Specdb::NmrOneD 122828 Specdb::NmrOneD 122829 Specdb::NmrOneD 122830 Specdb::NmrOneD 122831 Specdb::NmrOneD 122832 Specdb::NmrOneD 122833 Specdb::NmrOneD 122834 Specdb::NmrOneD 122835 Specdb::NmrOneD 122836 Specdb::NmrOneD 122837 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C06472 FDB023047 17794 18845 24769 Iduronic acid 48353 3331 Roden, Lennart; Dorfman, Albert. Metabolism of mucopolysaccharides in mammalian tissues. V. Origin of L-iduronic acid. Journal of Biological Chemistry (1958), 233 1030-3. BMDBP00373 Dermatan-sulfate epimerase P0C2H4 DSE Enzyme