1.0 2016-09-30 23:49:55 UTC 2020-05-11 18:40:36 UTC BMDB0008058 BMDB08058 PC(18:0/24:0) PC(18:0/24:0), also known as pc(18:0/24:0) or pc(18:0/24:0), belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. Thus, PC(18:0/24:0) is considered to be a glycerophosphocholine lipid molecule. PC(18:0/24:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PC(18:0/24:0) participates in a number of enzymatic reactions, within cattle. In particular, S-Adenosylhomocysteine and PC(18:0/24:0) can be biosynthesized from S-adenosylmethionine and pe-nme2(18:0/24:0) through its interaction with the enzyme phosphatidylethanolamine N-methyltransferase. Furthermore, Cytidine monophosphate and PC(18:0/24:0) can be biosynthesized from CDP-choline and DG(18:0/24:0/0:0) through its interaction with the enzyme choline/ethanolaminephosphotransferase. Finally, PC(18:0/24:0) and L-serine can be converted into choline and PS(18:0/24:0); which is catalyzed by the enzyme phosphatidylserine synthase. In cattle, PC(18:0/24:0) is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(18:0/24:0) pathway and phosphatidylethanolamine biosynthesis pe(18:0/24:0) pathway. 1-Stearoyl-2-lignoceroyl-sn-glycero-3-phosphocholine GPCho(18:0/24:0) Phosphatidylcholine(18:0/24:0) PC(18:0/24:0) GPCho(42:0) Lecithin Phosphatidylcholine(42:0) PC(42:0) 1-octadecanoyl-2-tetracosanoyl-sn-glycero-3-phosphocholine C50H100NO8P 874.3047 873.718655693 trimethyl(2-{[(2R)-3-(octadecanoyloxy)-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)azanium lecithin [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1 JAGKNQMHXVLJKL-QSCHNALKSA-N belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Phosphatidylcholines Amines Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Phosphocholines Tetraalkylammonium salts Aliphatic acyclic compound Alkyl phosphate Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diacylglycero-3-phosphocholine Dialkyl phosphate Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphocholine Phosphoric acid ester Quaternary ammonium salt Tetraalkylammonium salt Aliphatic acyclic compounds Diacylglycerophosphocholines phosphatidylcholine 42:0 Solid logp 6.62 ALOGPS logs -7.70 ALOGPS logp 12.56 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac trimethyl(2-{[(2R)-3-(octadecanoyloxy)-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)azanium ChemAxon average_mass 874.3047 ChemAxon mono_mass 873.718655693 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C50H100NO8P ChemAxon inchi InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1 ChemAxon inchikey JAGKNQMHXVLJKL-QSCHNALKSA-N ChemAxon polar_surface_area 111.19 ChemAxon refractivity 261.88 ChemAxon polarizability 112.04 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Phosphatidylcholine Biosynthesis PC(18:0/24:0) SMP0080587 Phosphatidylethanolamine Biosynthesis PE(18:0/24:0) SMP0082390 Specdb::CMs 207871 Specdb::MsMs 320101 Specdb::MsMs 320102 Specdb::MsMs 320103 Specdb::MsMs 367417 Specdb::MsMs 367418 Specdb::MsMs 367419 Specdb::MsMs 2285056 Specdb::MsMs 2285057 Specdb::MsMs 2285058 Specdb::MsMs 2312861 Specdb::MsMs 2312862 Specdb::MsMs 2312863 Specdb::MsMs 2316641 Specdb::MsMs 2316642 Specdb::MsMs 2316643 Specdb::MsMs 2653178 Specdb::MsMs 2653179 Specdb::MsMs 2653180 Specdb::MsMs 3028730 Specdb::MsMs 3028731 Specdb::MsMs 3028732 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 24766722 86212 FDB025249