{"ymdb_id":"YMDB00489","created_at":"2011-05-29T18:23:00.000Z","updated_at":"2016-09-08T18:35:32.000Z","name":"4-Acetamidobutanoic acid","cas":"3025-96-5","state":"Solid","melting_point":null,"description":"4-Acetamidobutanoic acid is a GABA derivative, product of the urea cycle and metabolism of amino groups, the product of NAD-linked aldehyde dehydrogenase [EC 1.2.1.3]. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm","synthesis_reference":null,"chebi_id":"17645","hmdb_id":"HMDB03681","kegg_id":"C02946","pubchem_id":"6991994","cs_id":"17180","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-570","iupac":"4-acetamidobutanoic acid","traditional_iupac":"4-acetamidobutyrate","logp":"-0.8029550126666665","pka":"15.836012565504998","alogps_solubility":"1.99e+01 g/l","alogps_logp":"-0.48","alogps_logs":"-0.86","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"4","polar_surface_area":"66.39999999999999","refractivity":"34.901599999999995","polarizability":"14.804365904567206","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-1.41646231112734","pka_strongest_acidic":"4.487596339175342","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["-Acetylaminobutyric acid","4-(Acetylamino)butanoate","4-(Acetylamino)butanoic acid","4-(acetylamino)butyrate","4-Acetamidobutanoate","4-acetamidobutyrate","4-Acetamidobutyric acid","Butanoic acid, 4-(acetylamino)-","Butyric acid, 4-acetamido-","N-Acetyl-4-aminobutanoate","N-Acetyl-4-aminobutanoic acid","N-acetyl-4-aminobutyrate","N-Acetyl-4-aminobutyric acid","N-acetyl-GABA","N-acetyl-gamma-amino-n-butyric acid","N-acetyl-gamma-aminobutyrate","N4-Acetylaminobutanoate","N4-Acetylaminobutanoic acid"],"pathways":[{"name":"Arginine and proline metabolism","kegg_map_id":"00330"}],"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."}],"proteins":[]}