1.0 2010-04-08 22:14:10 UTC 2019-11-26 03:17:09 UTC FDB019142 1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-phosphocholine Isolated from the Japanese oyster Crassostrea gigas. 1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-phosphocholine is found in crustaceans. 1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-ocholine 1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-phosphocholine C44H85NO7P 771.122 770.606365591 [3-(hexadecyloxy)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid 3-(hexadecyloxy)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy(2-(trimethylammonio)ethoxy)phosphinic acid 131907-73-8 CCCCCCCCCCCCCCCCOCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\C\C=C\C\C=C\CCCCC InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/p+1/b16-14+,22-20+,25-24+ VYKSGWCIVDQIQR-FGLAEDNVSA-O belongs to the class of organic compounds known as 1-alkyl,2-acylglycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one alkyl chain attached through an ether linkage at the O1-position. 1-alkyl,2-acylglycero-3-phosphocholines Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dialkyl phosphates Fatty acid esters Glycerol ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Phosphocholines Tetraalkylammonium salts 1-alkyl,2-acylglycero-3-phosphocholine Aliphatic acyclic compound Alkyl phosphate Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dialkyl phosphate Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation 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 logp 6.05 ALOGPS logs -7.31 ALOGPS solubility 3.99e-05 g/l ALOGPS logp 9.19 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac [3-(hexadecyloxy)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid ChemAxon average_mass 771.122 ChemAxon mono_mass 770.606365591 ChemAxon smiles CCCCCCCCCCCCCCCCOCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\C\C=C\C\C=C\CCCCC ChemAxon formula C44H85NO7P ChemAxon inchi InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/p+1/b16-14+,22-20+,25-24+ ChemAxon inchikey VYKSGWCIVDQIQR-FGLAEDNVSA-O ChemAxon polar_surface_area 91.29 ChemAxon refractivity 238.99 ChemAxon polarizability 95.76 ChemAxon rotatable_bond_count 41 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon HMDB39527 #<Reference:0x000055ce3330b5b8> Crustaceans Unknown generic 6657