{"ymdb_id":"YMDB00844","created_at":"2011-05-29T18:57:42.000Z","updated_at":"2016-09-08T18:35:58.000Z","name":"PPPi","cas":"10380-08-2","state":"Solid","melting_point":"","description":"PPPi is a salt that contains three phosphate groups.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":null,"synthesis_reference":null,"chebi_id":"39949","hmdb_id":"HMDB12282","kegg_id":"C00536","pubchem_id":"983","cs_id":"958","foodb_id":null,"wikipedia_link":null,"biocyc_id":"P3I","iupac":"{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid","traditional_iupac":"tripolyphosphate","logp":"-1.8637007806666663","pka":"2.4501601277213587","alogps_solubility":null,"alogps_logp":null,"alogps_logs":null,"acceptor_count":"8","donor_count":"5","rotatable_bond_count":"4","polar_surface_area":"170.82","refractivity":"36.3977","polarizability":"14.666679094599013","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":null,"pka_strongest_acidic":"0.8897367049259062","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(phosphate)n","(Phosphate)n-1","(Phosphate)n+1","acide triphosphorique","Bis(dihydroxidodioxidophosphato)hydroxidooxidophosphorus","Bis(phosphonooxy)phosphinic acid","Catena-triphosphoric acid","DAD","DCT","DGT","Diphosphono hydrogen phosphate","DTP","GTP","Inorganic open chain tripolyphosphate","Inorganic triphosphate","Triphosphate","Triphosphate analogs","Triphosphoric acid","Triphosphorsaeure","Tripolyphosphate","TTP"],"pathways":[{"name":"Oxidative phosphorylation","kegg_map_id":"00190"},{"name":"purine nucleotides de novo biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}