{"ymdb_id":"YMDB00800","created_at":"2011-05-29T18:54:08.000Z","updated_at":"2016-09-08T18:35:55.000Z","name":"L-Xylo-hexulonolactone","cas":null,"state":null,"melting_point":null,"description":"L-Xylo-hexulonolactone is the precursor for the last reaction in the L-ascorbate biosynthesis. This pathway is found in vertebrates. [Biocyc PWY3DJ-35471]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"28745","hmdb_id":null,"kegg_id":"C03289","pubchem_id":"5461125","cs_id":"23101539","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxyoxolane-2,4-dione","traditional_iupac":"L-xylo-hex-3-ulonolactone","logp":"-1.977907794","pka":"10.56966113107235","alogps_solubility":"4.66e+02 g/l","alogps_logp":"-1.59","alogps_logs":"0.42","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"2","polar_surface_area":"104.06","refractivity":"34.087199999999996","polarizability":"14.717534873807198","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9804889792565517","pka_strongest_acidic":"8.031665687731202","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["L-xylo-Hex-2-ulono-1,4-lactone","L-xylo-Hex-3-ulono-1,4-lactone","L-xylo-Hexulonolactone"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}