1.0 2020-03-30 20:23:31 UTC 2020-11-18 16:38:07 UTC CDB003124 PA(18:1(11Z)/20:1(13Z)) This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. [(2R)-2-[(13Z)-Icos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphonate C41H77O8P 729.03 728.5356 [(2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphonic acid (2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphonic acid [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCC\C=C/CCCCCC InChI=1S/C41H77O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38H2,1-2H3,(H2,44,45,46)/b15-13-,16-14-/t39-/m1/s1 LSDCJDQXMCPQCK-NCDRPEBGSA-N belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages. 1,2-diacylglycerol-3-phosphates Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Monoalkyl phosphates Organic oxides 1,2-diacylglycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Monoalkyl phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester logp 9.44 ALOGPS logs -7.12 ALOGPS logp 13.82 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac [(2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphonic acid ChemAxon average_mass 729.03 ChemAxon mono_mass 728.5356 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCC\C=C/CCCCCC ChemAxon formula C41H77O8P ChemAxon inchi InChI=1S/C41H77O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38H2,1-2H3,(H2,44,45,46)/b15-13-,16-14-/t39-/m1/s1 ChemAxon inchikey LSDCJDQXMCPQCK-NCDRPEBGSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 208.41 ChemAxon polarizability 90.47 ChemAxon rotatable_bond_count 40 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 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 FDB095563