{"ymdb_id":"YMDB00892","created_at":"2011-05-29T19:02:08.000Z","updated_at":"2016-09-08T18:36:02.000Z","name":"Aminoacetone","cas":"298-08-8","state":"Solid","melting_point":"","description":"Aminoacetone is a degradation product of L-threonine. Aminoacetone is formed by the spontaneous decarboxylation of 2-aminoacetoacetate the product of aminoacetone synthase.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":"Turner, J. M.  Aminoacetone production by microorganisms.    Biochemical Journal  (1966),  98(1),  7P.","chebi_id":"17906","hmdb_id":"HMDB02134","kegg_id":"C01888","pubchem_id":"215","cs_id":"210","foodb_id":null,"wikipedia_link":"1-Amino-2-propanone","biocyc_id":"AMINO-ACETONE","iupac":"1-aminopropan-2-one","traditional_iupac":"α-aminoacetone","logp":"-0.8178500343333335","pka":null,"alogps_solubility":"5.28e+02 g/l","alogps_logp":"-1.29","alogps_logs":"0.86","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"43.09","refractivity":"19.5545","polarizability":"7.708546204014984","formal_charge":"0","physiological_charge":"1","pka_strongest_basic":"7.843723577958538","pka_strongest_acidic":"17.29553044103235","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-amino-(8CI,9CI)-2-propanone","1-Amino-2-propanone","1-aminopropan-2-one","alpha-Aminoacetone","amino-(6CI)-2-propanone","amino-2-propanone"],"pathways":[{"name":"Glycine, serine and threonine metabolism","kegg_map_id":"00260"}],"growth_conditions":[],"references":[{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":3086094,"citation":"Murata, K., Saikusa, T., Fukuda, Y., Watanabe, K., Inoue, Y., Shimosaka, M., Kimura, A. (1986). \"Metabolism of 2-oxoaldehydes in yeasts. Possible role of glycolytic bypath as a detoxification system in L-threonine catabolism by Saccharomyces cerevisiae.\" Eur J Biochem 157:297-301."}],"proteins":[]}