{"ymdb_id":"YMDB00784","created_at":"2011-05-29T18:52:48.000Z","updated_at":"2016-09-08T18:35:54.000Z","name":"gamma-amino-gamma-cyanobutanoic acid","cas":"14046-56-1","state":null,"melting_point":null,"description":"gamma-Amino-gamma-cyanobutanoic acid is a short-chain fatty acid involved in cyanoamino acid metabolism.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular;cell envelope;mitochondrion;endoplasmic reticulum;lipid particle","synthesis_reference":null,"chebi_id":"28474","hmdb_id":null,"kegg_id":"C05715","pubchem_id":"440769","cs_id":"389638","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-amino-4-cyanobutanoic acid","traditional_iupac":"4-amino-4-cyanobutyric acid","logp":"-3.1088907333406812","pka":null,"alogps_solubility":"2.52e+01 g/l","alogps_logp":"-2.87","alogps_logs":"-0.71","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"87.10999999999999","refractivity":"30.267","polarizability":"12.354465838859479","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"6.705573929709776","pka_strongest_acidic":"2.1981434710498795","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-Amino-4-cyanobutanoic acid","4-amino-4-cyanobutyric acid","gamma-Amino-gamma-cyanobutanoate"],"pathways":[{"name":"Cyanoamino acid metabolism","kegg_map_id":"00460"}],"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":[]}