{"ymdb_id":"YMDB00596","created_at":"2011-05-29T18:34:12.000Z","updated_at":"2016-09-08T18:35:40.000Z","name":"Iminoaspartic acid","cas":"79067-61-1","state":"Solid","melting_point":null,"description":"Iminoaspartic acid (alpha-iminosuccinate) is an intermediate in NAD biosynthesis from aspartate pathwyay. As a general rule, most prokaryotes utilize the aspartate de novo pathway, in which the nicotinate moiety of NAD is synthesized from aspartate, while in eukaryotes, the de novo pathway starts with tryptophan. [Biocyc PYRIDNUCSYN-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"50616","hmdb_id":"HMDB01131","kegg_id":"C05840","pubchem_id":"796","cs_id":"13628208","foodb_id":null,"wikipedia_link":null,"biocyc_id":"IMINOASPARTATE","iupac":"2-iminobutanedioic acid","traditional_iupac":"iminosuccinic acid","logp":"-0.511461691327299","pka":"3.9836401352027853","alogps_solubility":"4.26e+00 g/l","alogps_logp":"-0.83","alogps_logs":"-1.49","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"3","polar_surface_area":"98.44999999999999","refractivity":"36.8058","polarizability":"10.554870288773309","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"2.4824191793309613","pka_strongest_acidic":"3.281960006543796","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["alpha-iminosuccinate","imino-Butanedioate","imino-Butanedioic acid","Iminoaspartate","iminosuccinate","iminosuccinic acid"],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"}],"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":[]}