1.0 2016-10-03 18:20:35 UTC 2020-05-11 19:18:28 UTC BMDB0011551 BMDB11551 MG(0:0/22:0/0:0) 1-Monoacylglyceride 1-Monoacylglycerol 2-Behenoyl-glycerol 2-Docosanoyl-rac-glycerol b-Monoacylglycerol beta-Monoacylglycerol MAG(0:0/22:0) MAG(22:0) MG(0:0/22:0) MG(22:0) C25H50O4 414.6621 414.370910088 1,3-dihydroxypropan-2-yl docosanoate 1,3-dihydroxypropan-2-yl docosanoate [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3 DNULQWTYMFQUHB-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 Solid logp 8.36 ALOGPS logs -6.39 ALOGPS logp 7.75 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl docosanoate ChemAxon average_mass 414.6621 ChemAxon mono_mass 414.370910088 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C25H50O4 ChemAxon inchi InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3 ChemAxon inchikey DNULQWTYMFQUHB-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 121.71 ChemAxon polarizability 54.99 ChemAxon rotatable_bond_count 24 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 39675 Specdb::CMs 170806 Specdb::MsMs 567349 Specdb::MsMs 567350 Specdb::MsMs 567351 Specdb::MsMs 1465517 Specdb::MsMs 1465518 Specdb::MsMs 1465519 Specdb::MsMs 2292252 Specdb::MsMs 2292253 Specdb::MsMs 2292254 Specdb::MsMs 2363228 Specdb::MsMs 2363229 Specdb::MsMs 2363230 Specdb::MsMs 2602652 Specdb::MsMs 2602653 Specdb::MsMs 2602654 Specdb::MsMs 2743567 Specdb::MsMs 2743568 Specdb::MsMs 2743569 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 108551 121658 FDB028264