1.0 2016-10-03 18:20:53 UTC 2020-05-11 19:18:40 UTC BMDB0011566 BMDB11566 MG(18:1(11Z)/0:0/0:0) Glycerolipid 1-(11Z-Octadecenoyl)-sn-glycerol Glycerolipid(18:1(11Z)/0:0/0:0) MG(18:1/0:0/0:0) MAG(18:1/0:0/0:0) C21H40O4 356.5399 356.292659768 (2S)-2,3-dihydroxypropyl (11Z)-octadec-11-enoate (2S)-2,3-dihydroxypropyl (11Z)-octadec-11-enoate [H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m0/s1 KJHYUSLWTPMFTN-AQWUKCDYSA-N belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1-monoacylglycerols 1,2-diols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols 1,2-diol 1-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 Secondary alcohol Aliphatic acyclic compounds Solid logp 6.30 ALOGPS logs -5.37 ALOGPS logp 5.61 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2,3-dihydroxypropyl (11Z)-octadec-11-enoate ChemAxon average_mass 356.5399 ChemAxon mono_mass 356.292659768 ChemAxon smiles [H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C21H40O4 ChemAxon inchi InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m0/s1 ChemAxon inchikey KJHYUSLWTPMFTN-AQWUKCDYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 104.43 ChemAxon polarizability 44.95 ChemAxon rotatable_bond_count 19 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 39690 Specdb::CMs 135300 Specdb::CMs 143034 Specdb::MsMs 639139 Specdb::MsMs 639140 Specdb::MsMs 639141 Specdb::MsMs 2362043 Specdb::MsMs 2362044 Specdb::MsMs 2362045 Specdb::MsMs 2448530 Specdb::MsMs 2448531 Specdb::MsMs 2448532 Specdb::MsMs 2599742 Specdb::MsMs 2599743 Specdb::MsMs 2599744 Specdb::MsMs 2628380 Specdb::MsMs 2628381 Specdb::MsMs 2628382 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 53480977 FDB028279