{"ymdb_id":"YMDB01173","created_at":"2011-07-24T19:09:25.000Z","updated_at":"2016-10-18T17:11:49.000Z","name":"PC(12:0/16:0)","cas":null,"state":"Solid","melting_point":null,"description":"PC(12:0/16:0) 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(12:0/16:0), in particular, consists of one dodecanoyl chain  to the C-1 atom, and one hexadecanoyl  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":"24822248","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2-{[(2R)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium","traditional_iupac":"(2-{[(2R)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium","logp":"6.3355217191949205","pka":null,"alogps_solubility":"4.02e-05 g/l","alogps_logp":"4.57","alogps_logs":"-7.26","acceptor_count":"4","donor_count":"0","rotatable_bond_count":"36","polar_surface_area":"111.19","refractivity":"197.46109999999996","polarizability":"83.26278259251008","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.744159309169687","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-dodecanoyl-2-palmitoyl-sn-glycero-3-phosphocholine","GPCho(12:0/16:0)","GPCho(28:0)","Lecithin","PC(12:0/16:0)","PC(28:0)","Phosphatidylcholine(12:0/16:0)","Phosphatidylcholine(28:0)"],"pathways":[{"name":"Phosphatidylcholine biosynthesis PC(12:0/16:0)","kegg_map_id":null}],"growth_conditions":[{"growth_media":"SD media with 2% raffinose","concentration":"46000.0","concentration_units":"umol/L","error":"2500.0"},{"growth_media":"SD media with 2% raffinose","concentration":"149250.0","concentration_units":"umol/L","error":"8100.0"}],"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":[]}