{"ymdb_id":"YMDB00804","created_at":"2011-05-29T18:54:25.000Z","updated_at":"2016-09-08T18:35:55.000Z","name":"4-hydroxyhexan-3-one","cas":"4984-85-4","state":"Solid","melting_point":"","description":"4-Hydroxyhexan-3-one is a substrate for the propioin synthase enzyme [EC 4.1.2.35]. 4-Hydroxyhexan-3-one is converted to 2-propanal, which can be used in the sphingolipid metabolism pathway. [Biocyc PROPIOIN-SYNTHASE-RXN and SPHINGOLIPID-SYN-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"18351","hmdb_id":null,"kegg_id":"C02948","pubchem_id":"95609","cs_id":"86302","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-hydroxyhexan-3-one","traditional_iupac":"4-hydroxy-3-hexanone","logp":"1.0808542466666664","pka":"18.391166363423224","alogps_solubility":"1.75e+02 g/l","alogps_logp":"0.50","alogps_logs":"0.18","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"37.3","refractivity":"31.541800000000002","polarizability":"12.973580190766684","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.4899251099609057","pka_strongest_acidic":"13.419905159646483","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["3-Hexanone, 4-hydroxy-","3-Hydroxy-4-hexanone","4-Hydroxy-3-hexanone","4-Hydroxyhexan-3-one","Ethyl alpha-hydroxypropyl ketone","Propioin","Propionoin"],"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":[]}