1.0 2016-10-03 18:21:06 UTC 2020-05-11 20:42:27 UTC BMDB0011577 BMDB11577 MG(20:3(8Z,11Z,14Z)/0:0/0:0) Glycerolipid 1-(8Z,11Z,14Z-Eicosatrienoyl)-sn-glycerol Glycerolipid(20:3(8Z,11Z,14Z)/0:0/0:0) MG(20:3/0:0/0:0) MAG(20:3/0:0/0:0) (2S)-2,3-Dihydroxypropyl (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid 1-Dihomo-gamma-linolenoyl-sn-glycerol 1-Dihomo-linolenylglycerol MAG(20:3(8Z,11Z,14Z)) MAG(20:3(8Z,11Z,14Z)/0:0/0:0) MAG(20:3) MAG(20:3n6) MAG(20:3n6/0:0/0:0) MAG(20:3W6) MAG(20:3W6/0:0/0:0) MG(20:3(8Z,11Z,14Z)) MG(20:3) MG(20:3n6) MG(20:3n6/0:0/0:0) MG(20:3W6) MG(20:3W6/0:0/0:0) MG(20:3(8Z,11Z,14Z)/0:0/0:0) C23H40O4 380.5613 380.292659768 (2S)-2,3-dihydroxypropyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2S)-2,3-dihydroxypropyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate 869485-73-4 [H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-/t22-/m0/s1 LERKRWCYZNDWFH-YYRPCZOWSA-N belongs to the class of organic compounds known as monoacylglycerols. These are glycerides consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Monoacylglycerols 1,2-diols 1-monoacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Other hydroxyeicosapolyenoic acids Primary alcohols Secondary alcohols 1,2-diol 1-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Eicosanoid Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxyeicosapolyenoic acid Monoacylglycerol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Aliphatic acyclic compounds Solid logp 5.89 ALOGPS logs -5.67 ALOGPS logp 5.77 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2,3-dihydroxypropyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 380.5613 ChemAxon mono_mass 380.292659768 ChemAxon smiles [H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C23H40O4 ChemAxon inchi InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-/t22-/m0/s1 ChemAxon inchikey LERKRWCYZNDWFH-YYRPCZOWSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 115.86 ChemAxon polarizability 46.53 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 39701 Specdb::CMs 135328 Specdb::CMs 143062 Specdb::NmrOneD 268548 Specdb::NmrOneD 268549 Specdb::NmrOneD 268550 Specdb::NmrOneD 268551 Specdb::NmrOneD 268552 Specdb::NmrOneD 268553 Specdb::NmrOneD 268554 Specdb::NmrOneD 268555 Specdb::NmrOneD 268556 Specdb::NmrOneD 268557 Specdb::NmrOneD 268558 Specdb::NmrOneD 268559 Specdb::NmrOneD 268560 Specdb::NmrOneD 268561 Specdb::NmrOneD 268562 Specdb::NmrOneD 268563 Specdb::NmrOneD 268564 Specdb::NmrOneD 268565 Specdb::NmrOneD 268566 Specdb::NmrOneD 268567 Specdb::MsMs 678055 Specdb::MsMs 678056 Specdb::MsMs 678057 Specdb::MsMs 2266695 Specdb::MsMs 2266696 Specdb::MsMs 2266697 Specdb::MsMs 3054488 Specdb::MsMs 3054489 Specdb::MsMs 3054490 Specdb::MsMs 3054737 Specdb::MsMs 3054738 Specdb::MsMs 3054739 Specdb::MsMs 3075753 Specdb::MsMs 3075754 Specdb::MsMs 3075755 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 Placenta 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 53480986