1.0 2016-10-03 18:20:16 UTC 2020-05-11 19:18:15 UTC BMDB0011535 BMDB11535 MG(0:0/18:0/0:0) 1,3-Dihydroxypropan-2-yl stearate 2-Octadecanoylglycerol 2-Octadecanoyloxy-propane-1,3-diol 2-Stearoyloxy-propane-1,3-diol Glycerine monostearate Glycerol monostearate MG (0:0/18:0/0:0) 1,3-Dihydroxypropan-2-yl stearic acid Glycerine monostearic acid Glycerol monostearic acid 1-Monoacylglyceride 1-Monoacylglycerol 2-Octadecanoyl-rac-glycerol 2-Stearoyl-glycerol b-Monoacylglycerol beta-Monoacylglycerol MAG(0:0/18:0) MAG(18:0) MG(0:0/18:0) MG(18:0) 2-Stearoylglycerol C21H42O4 358.5558 358.308309832 1,3-dihydroxypropan-2-yl octadecanoate 1,3-dihydroxypropan-2-yl octadecanoate 621-61-4 [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3 YQEMORVAKMFKLG-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 2-monoglyceride Solid logp 6.62 ALOGPS logs -5.51 ALOGPS logp 5.97 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl octadecanoate ChemAxon average_mass 358.5558 ChemAxon mono_mass 358.308309832 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C21H42O4 ChemAxon inchi InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3 ChemAxon inchikey YQEMORVAKMFKLG-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 103.31 ChemAxon polarizability 46.57 ChemAxon rotatable_bond_count 20 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 39660 Specdb::CMs 166011 Specdb::MsMs 601114 Specdb::MsMs 601115 Specdb::MsMs 601116 Specdb::MsMs 1462757 Specdb::MsMs 1462758 Specdb::MsMs 1462759 Specdb::MsMs 2275449 Specdb::MsMs 2275450 Specdb::MsMs 2275451 Specdb::MsMs 2318114 Specdb::MsMs 2318115 Specdb::MsMs 2318116 Specdb::MsMs 2842713 Specdb::MsMs 2842714 Specdb::MsMs 2842715 Specdb::MsMs 2867076 Specdb::MsMs 2867077 Specdb::MsMs 2867078 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB028250 71407 79075 75456