{"ymdb_id":"YMDB01183","created_at":"2011-07-24T19:10:16.000Z","updated_at":"2016-10-18T17:11:50.000Z","name":"PC(16:0/18:1(9Z))","cas":"8002-43-5","state":"Solid","melting_point":null,"description":"PC(16:0/18:1(9Z)) 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(16:0/18:1(9Z)), in particular, consists of one hexadecanoyl chain  to the C-1 atom, and one 9Z-octadecenoyl  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":null,"synthesis_reference":null,"chebi_id":"18303","hmdb_id":"HMDB07972","kegg_id":"C00157","pubchem_id":"6323481","cs_id":"4593686","foodb_id":null,"wikipedia_link":"Lecithin","biocyc_id":"PHOSPHATIDYLCHOLINE","iupac":"(2-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","traditional_iupac":"(2-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","logp":"8.641012052528252","pka":null,"alogps_solubility":"2.06e-05 g/l","alogps_logp":"5.59","alogps_logs":"-7.60","acceptor_count":"4","donor_count":"0","rotatable_bond_count":"41","polar_surface_area":"111.19","refractivity":"226.18370000000007","polarizability":"93.99916410823283","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.744159309169722","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":["1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine","1,2-Diacyl-sn-glycero-3-phosphocholine","3-O-sn-Phosphatidyl-L-serine","3-sn-Phosphatidylcholine","Choline phosphatide","GPCho(16:0/18:1)","GPCho(16:0/18:1n9)","GPCho(16:0/18:1w9)","GPCho(34:1)","Lecithin","Lecithins","O3-Phosphatidyl-L-serine","PC(16:0/18:1)","PC(16:0/18:1n9)","PC(16:0/18:1w9)","PC(34:1)","Phosphatidyl-L-serine","phosphatidyl-L-serines","Phosphatidyl-N-trimethylethanolamine","Phosphatidylcholine","Phosphatidylcholine(16:0/18:1)","Phosphatidylcholine(16:0/18:1n9)","Phosphatidylcholine(16:0/18:1w9)","Phosphatidylcholine(34:1)"],"pathways":[{"name":"Arachidonic acid metabolism","kegg_map_id":"00590"},{"name":"Linoleic acid metabolism","kegg_map_id":"00591"},{"name":"alpha-Linolenic acid metabolism","kegg_map_id":"00592"},{"name":"Glycerophospholipid metabolism","kegg_map_id":"00564"},{"name":"Phosphatidylcholine biosynthesis PC(16:0/18:1(9Z))","kegg_map_id":null}],"growth_conditions":[{"growth_media":"YEB media with 0.5 mM glucose","concentration":"1.15","concentration_units":"\u0026#181;M","error":"0.0575"},{"growth_media":"SD media with 2% raffinose","concentration":"346750.0","concentration_units":"umol/L","error":"32150.0"},{"growth_media":"SD media with 2% raffinose","concentration":"1557500.0","concentration_units":"umol/L","error":"4475.0"}],"references":[{"pubmed_id":19174513,"citation":"Ejsing, C. S., Sampaio, J. L., Surendranath, V., Duchoslav, E., Ekroos, K., Klemm, R. W., Simons, K., Shevchenko, A. (2009). \"Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry.\" Proc Natl Acad Sci U S A 106:2136-2141."}],"proteins":[]}