1.0 2020-03-04 17:11:04 UTC 2020-04-22 16:08:44 UTC BMDB0065945 BMDB65945 MG(0:0/i-24:0/0:0) Glycerolipid 2-22-Methyltricosanoyl-sn-glycerol Glycerolipid(0:0/i-24:0/0:0) 1-Monoacylglyceride 1-Monoacylglycerol MG(0:0) MAG(0:0) MAG(0:0/i-24:0/0:0) C27H54O4 442.725 442.402210219 1,3-dihydroxypropan-2-yl 22-methyltricosanoate 1,3-dihydroxypropan-2-yl 22-methyltricosanoate [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C27H54O4/c1-25(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27(30)31-26(23-28)24-29/h25-26,28-29H,3-24H2,1-2H3 XBRPNKYDDZTHFM-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 8.90 ALOGPS logs -6.59 ALOGPS logp 8.48 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl 22-methyltricosanoate ChemAxon average_mass 442.725 ChemAxon mono_mass 442.402210219 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C27H54O4 ChemAxon inchi InChI=1S/C27H54O4/c1-25(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27(30)31-26(23-28)24-29/h25-26,28-29H,3-24H2,1-2H3 ChemAxon inchikey XBRPNKYDDZTHFM-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 130.86 ChemAxon polarizability 59 ChemAxon rotatable_bond_count 25 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::CMs 49098 Specdb::CMs 165442 Specdb::MsMs 567433 Specdb::MsMs 567434 Specdb::MsMs 567435 Specdb::MsMs 2411950 Specdb::MsMs 2411951 Specdb::MsMs 2411952 Specdb::MsMs 2550687 Specdb::MsMs 2550688 Specdb::MsMs 2550689 Specdb::MsMs 2636557 Specdb::MsMs 2636558 Specdb::MsMs 2636559 Specdb::MsMs 3069897 Specdb::MsMs 3069898 Specdb::MsMs 3069899 FDB044873 131779652