1.0 2016-09-30 23:07:12 UTC 2020-05-11 20:40:48 UTC BMDB0003976 BMDB03976 D-Glucuronic acid 1-phosphate 1-O-Phosphono-D-glucopyranuronic acid 1-Phospho-a-D-Glucuronate 1-Phospho-alpha-D-Glucuronate a-D-Glucopyranuronic acid 1-phosphate a-D-Glucuronic acid 1-phosphate alpha-D-Glucuronate 1-phosphate alpha-D-Glucuronic acid 1-phosphate alpha-D-Glucopyranuronic acid 1-phosphate D-Glucuronate 1-phosphate D-Glucuronate-1-P D-Glucuronate-1-phosphate D-Glucuronic acid 1-phosphate Glucuronate-1-P Glucuronate-1-phosphate Glucuronic acid 1-phosphate D-Glucuronic acid 1-phosphoric acid α-D-Glucopyranuronic acid 1-phosphate α-D-Glucuronic acid 1-phosphate C6H11O10P 274.1193 274.008983084 (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid glucuronic acid 1-phosphate 13168-11-1 O[C@@H]1[C@@H](O)C(OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6?/m0/s1 AIQDYKMWENWVQJ-AQKNRBDQSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Oxacycle Oxane Phosphoric acid ester Polyol Pyran Secondary alcohol Aliphatic heteromonocyclic compounds uronic acid phosphate Solid logp -3.441 logp -1.69 ALOGPS logs -0.91 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.15 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid ChemAxon average_mass 274.1193 ChemAxon mono_mass 274.008983084 ChemAxon smiles O[C@@H]1[C@@H](O)C(OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O ChemAxon formula C6H11O10P ChemAxon inchi InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6?/m0/s1 ChemAxon inchikey AIQDYKMWENWVQJ-AQKNRBDQSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 46.66 ChemAxon polarizability 20.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20725 Specdb::CMs 38682 Specdb::MsMs 312157 Specdb::MsMs 312158 Specdb::MsMs 312159 Specdb::MsMs 357337 Specdb::MsMs 357338 Specdb::MsMs 357339 Placenta 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 FDB023278 389532 C05385 440650 35145 45711 Heeres, Andre; Van Doren, Henk A.; Gotlieb, Kees F.; Bleeker, Ido P. Synthesis of a- and b-D-glucopyranuronate 1-phosphate and a-D-glucopyranuronate 1-fluoride: intermediates in the synthesis of D-glucuronic acid from starch. Carbohydrate Research (1997), 299(4), 221-227.