1.0 2016-10-03 18:20:11 UTC 2020-05-11 19:18:12 UTC BMDB0011531 BMDB11531 MG(0:0/14:1(9Z)/0:0) 1-Monoacylglyceride 1-Monoacylglycerol 2-(9Z-Tetradecenoyl)-rac-glycerol 2-Myristoleoyl-glycerol b-Monoacylglycerol beta-Monoacylglycerol MAG(0:0/14:1) MAG(0:0/14:1n5) MAG(0:0/14:1W5) MAG(14:1) MG(0:0/14:1) MG(0:0/14:1n5) MG(0:0/14:1W5) MG(14:1) 1,3-Dihydroxypropan-2-yl (9Z)-tetradec-9-enoic acid C17H32O4 300.4336 300.230059512 1,3-dihydroxypropan-2-yl (9Z)-tetradec-9-enoate 1,3-dihydroxypropan-2-yl (9Z)-tetradec-9-enoate [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5- UETKPVCPWANBPE-WAYWQWQTSA-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 4.40 ALOGPS logs -3.97 ALOGPS logp 3.83 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl (9Z)-tetradec-9-enoate ChemAxon average_mass 300.4336 ChemAxon mono_mass 300.230059512 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C17H32O4 ChemAxon inchi InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5- ChemAxon inchikey UETKPVCPWANBPE-WAYWQWQTSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 86.02 ChemAxon polarizability 36.68 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::CMs 39656 Specdb::CMs 146038 Specdb::MsMs 618577 Specdb::MsMs 618578 Specdb::MsMs 618579 Specdb::MsMs 2419458 Specdb::MsMs 2419459 Specdb::MsMs 2419460 Specdb::MsMs 2543246 Specdb::MsMs 2543247 Specdb::MsMs 2543248 Specdb::MsMs 2660413 Specdb::MsMs 2660414 Specdb::MsMs 2660415 Specdb::MsMs 2951556 Specdb::MsMs 2951557 Specdb::MsMs 2951558 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 24765768 FDB028247 53480959