1.0 2020-03-04 17:10:40 UTC 2020-04-22 16:08:37 UTC BMDB0065926 BMDB65926 MG(0:0/i-14:0/0:0) Glycerolipid 2-12-Methyltridecanoyl-sn-glycerol Glycerolipid(0:0/i-14:0/0:0) 1-Monoacylglyceride 1-Monoacylglycerol MG(0:0) MAG(0:0) MAG(0:0/i-14:0/0:0) C17H34O4 302.455 302.245709575 1,3-dihydroxypropan-2-yl 12-methyltridecanoate 1,3-dihydroxypropan-2-yl 12-methyltridecanoate [H]C(CO)(CO)OC(=O)CCCCCCCCCCC(C)C InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-16(13-18)14-19/h15-16,18-19H,3-14H2,1-2H3 ISFYNKZIPZNFFO-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 4.59 ALOGPS logs -3.85 ALOGPS logp 4.04 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl 12-methyltridecanoate ChemAxon average_mass 302.455 ChemAxon mono_mass 302.245709575 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCC(C)C ChemAxon formula C17H34O4 ChemAxon inchi InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-16(13-18)14-19/h15-16,18-19H,3-14H2,1-2H3 ChemAxon inchikey ISFYNKZIPZNFFO-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 84.85 ChemAxon polarizability 37.69 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 618994 Specdb::MsMs 618995 Specdb::MsMs 618996 Specdb::MsMs 2431792 Specdb::MsMs 2431793 Specdb::MsMs 2431794 Specdb::MsMs 2436307 Specdb::MsMs 2436308 Specdb::MsMs 2436309 Specdb::MsMs 2526357 Specdb::MsMs 2526358 Specdb::MsMs 2526359 Specdb::MsMs 2681367 Specdb::MsMs 2681368 Specdb::MsMs 2681369 Specdb::CMs 49079 Specdb::CMs 133916 Specdb::CMs 141650 FDB044854 131779640