{"ymdb_id":"YMDB13677","created_at":"2016-07-07T23:28:18.000Z","updated_at":"2016-10-17T22:39:32.000Z","name":"PC(16:1(9Z)/20:1(13Z))","cas":null,"state":"Solid","melting_point":null,"description":"PC(16:1(9Z)/20:1(13Z)) is a phosphatidylchloline (PC). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylcholines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PC(16:1(9Z)/20:1(13Z)), in particular, consists of one 9Z-hexadecenoyl chain  to the C-1 atom, and one 13Z-eicosenoyl  to the C-2 atom. In E. coli, PCs can be found in the integral component of the cell outer membrane. They are hydrolyzed by Phospholipases to a 2-acylglycerophosphocholine and a carboxylate.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Endoplasmic reticulum;Mitochondria","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(13Z)-icos-13-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","traditional_iupac":"(2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(13Z)-icos-13-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","logp":"9.168227725861586","pka":null,"alogps_solubility":"2.22e-05 g/l","alogps_logp":"5.77","alogps_logs":"-7.58","acceptor_count":"4","donor_count":"0","rotatable_bond_count":"42","polar_surface_area":"111.19","refractivity":"236.50230000000005","polarizability":"94.92953830654605","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.7441593091697225","pka_strongest_acidic":"1.8550572064469137","bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Phosphatidylcholine biosynthesis PC(16:1(9Z)/20:1(13Z))","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":240350,"citation":"Rattray JB, Schibeci A, Kidby DK. (1975). \"Lipids of yeasts.\" Bacteriol Rev. 1975 Sep;39(3):197-231."}],"proteins":[]}