{"ymdb_id":"YMDB00457","created_at":"2011-05-29T18:18:55.000Z","updated_at":"2016-09-08T18:35:29.000Z","name":"3-(4-hydroxyphenyl)lactic acid","cas":"306-23-0","state":"Solid","melting_point":null,"description":"Hydroxyphenyllactic acid is a tyrosine metabolite. It is an intermediate in the rosmarinic acid pathway. [Biocyc PWY-5048]","experimental_water_solubility":"12.9 mg/mL at 16 oC [BEILSTEIN]","experimental_logp_hydrophobicity":null,"location":"Mitochondrion","synthesis_reference":"Deng, Xi-ling; Wang, Xin-bing; Xiang, Ying; Zhu, Shi-fa.  Synthesis of b-(4-hydroxyphenyl)lactic acid.    Shihezi Daxue Xuebao, Ziran Kexueban  (2005),  23(1),  11-13.","chebi_id":"17385","hmdb_id":"HMDB00755","kegg_id":"C03672","pubchem_id":"9378","cs_id":"9010","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-6978","iupac":"2-hydroxy-3-(4-hydroxyphenyl)propanoic acid","traditional_iupac":"hydroxyphenyllactic acid","logp":"0.8809315280000001","pka":"9.50382828900583","alogps_solubility":"4.79e+00 g/l","alogps_logp":"0.87","alogps_logs":"-1.58","acceptor_count":"4","donor_count":"3","rotatable_bond_count":"3","polar_surface_area":"77.75999999999999","refractivity":"45.439700000000016","polarizability":"17.508950163763846","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.8298154633716104","pka_strongest_acidic":"3.5839647995095922","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(RS)-3-(4-Hydroxyphenyl)lactate","(RS)-3-(4-Hydroxyphenyl)lactic acid","2-Hydroxy-3-(4-hydroxyphenyl)propanoate","2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid","2-Hydroxy-3-(p-hydroxyphenyl)propionate","2-Hydroxy-3-(p-hydroxyphenyl)propionic acid","3-(4-Hydroxyphenyl)-DL-lactate","3-(4-Hydroxyphenyl)-DL-lactic acid","3-(4-Hydroxyphenyl)lactate","3-(4-Hydroxyphenyl)lactic acid","3-(p-hydroxyphenyl)-Lactate","3-(p-hydroxyphenyl)-Lactic acid","4-Hydroxyphenyllactate","4-Hydroxyphenyllactic acid","a,4-Dihydroxybenzenepropanoate","a,4-Dihydroxybenzenepropanoic acid","b-(4-Hydroxyphenyl)lactate","b-(4-Hydroxyphenyl)lactic acid","b-(p-Hydroxyphenyl)-DL-lactate","b-(p-Hydroxyphenyl)-DL-lactic acid","b-(p-Hydroxyphenyl)lactate","b-(p-Hydroxyphenyl)lactic acid","Benzenepropanoic acid, .alpha.,4-dihydroxy-","beta-(4-Hydroxyphenyl)lactate","beta-(4-Hydroxyphenyl)lactic acid","beta-(p-Hydroxyphenyl)-DL-lactate","beta-(p-Hydroxyphenyl)-DL-lactic acid","beta-(p-Hydroxyphenyl)lactate","beta-(p-Hydroxyphenyl)lactic acid","DL-3-(4-Hydroxyphenyl)lactate","DL-3-(4-Hydroxyphenyl)lactic acid","DL-p-Hydroxyphenyllactate","DL-p-Hydroxyphenyllactic acid","HPLA","Hydroxyphenyllactate","Lactic acid, (p-hydroxyphenyl)-","Lactic acid, 3-(p-hydroxyphenyl)-","p-Hydroxyphenyl lactic acid","p-Hydroxyphenyllactate"],"pathways":[{"name":"Ubiquinone and other terpenoid-quinone biosynthesis","kegg_map_id":"00130"},{"name":"Tyrosine metabolism","kegg_map_id":"00350"}],"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":[]}