1.0 2020-03-04 17:10:47 UTC 2020-04-22 16:08:39 UTC BMDB0065932 BMDB65932 MG(0:0/i-20:0/0:0) Glycerolipid 2-18-Methylnonadecanoyl-sn-glycerol Glycerolipid(0:0/i-20:0/0:0) 1-Monoacylglyceride 1-Monoacylglycerol MG(0:0) MAG(0:0) MAG(0:0/i-20:0/0:0) C23H46O4 386.617 386.339609961 1,3-dihydroxypropan-2-yl 18-methylnonadecanoate 1,3-dihydroxypropan-2-yl 18-methylnonadecanoate [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C InChI=1S/C23H46O4/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(26)27-22(19-24)20-25/h21-22,24-25H,3-20H2,1-2H3 DTNBVZXPKGNLQF-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 2-position. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 2-monoacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds logp 7.66 ALOGPS logs -5.87 ALOGPS logp 6.7 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl 18-methylnonadecanoate ChemAxon average_mass 386.617 ChemAxon mono_mass 386.339609961 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C ChemAxon formula C23H46O4 ChemAxon inchi InChI=1S/C23H46O4/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(26)27-22(19-24)20-25/h21-22,24-25H,3-20H2,1-2H3 ChemAxon inchikey DTNBVZXPKGNLQF-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 112.46 ChemAxon polarizability 50.54 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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 Specdb::MsMs 591178 Specdb::MsMs 591179 Specdb::MsMs 591180 Specdb::MsMs 2382695 Specdb::MsMs 2382696 Specdb::MsMs 2382697 Specdb::MsMs 2574046 Specdb::MsMs 2574047 Specdb::MsMs 2574048 Specdb::MsMs 2580066 Specdb::MsMs 2580067 Specdb::MsMs 2580068 Specdb::MsMs 3026007 Specdb::MsMs 3026008 Specdb::MsMs 3026009 Specdb::CMs 49085 Specdb::CMs 131917 Specdb::CMs 139651 FDB044860 131779645