1.0 2016-10-03 18:20:19 UTC 2020-05-11 19:18:18 UTC BMDB0011538 BMDB11538 MG(0:0/18:2(9Z,12Z)/0:0) 2-(9Z,12Z-Octadecadienoyl)-glycerol 2-Glyceryl 9,12-octadecadienoate 2-Monolinolein 2-Monolinoleoylglycerol beta-Monolinolein Glyceryl 2-linoleate MG (0:0/18:2(N-6)/0:0) 2-Glyceryl 9,12-octadecadienoic acid b-Monolinolein Β-monolinolein Glyceryl 2-linoleic acid 1-Monoacylglyceride 1-Monoacylglycerol 2-(9Z,12Z-Octadecadienoyl)-rac-glycerol 2-LG 2-Linoleoyl-glycerol b-Monoacylglycerol beta-Monoacylglycerol MAG(0:0/18:2) MAG(0:0/18:2n6) MAG(0:0/18:2W6) MAG(18:2) MG(0:0/18:2) MG(0:0/18:2n6) MG(0:0/18:2W6) MG(18:2) 2-Lino-GL 2-Linoleoylglycerol C21H38O4 354.524 354.277009704 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate 3443-82-1 [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C21H38O4/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/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9- IEPGNWMPIFDNSD-HZJYTTRNSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 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 Glycerolipid Hydrocarbon derivative Monoacylglycerol Monocarboxylic acid or derivatives Monoradylglycerol Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds 2-monoglyceride Solid logp 5.55 ALOGPS logs -5.17 ALOGPS logp 5.25 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 354.524 ChemAxon mono_mass 354.277009704 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C21H38O4 ChemAxon inchi InChI=1S/C21H38O4/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/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9- ChemAxon inchikey IEPGNWMPIFDNSD-HZJYTTRNSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 105.54 ChemAxon polarizability 43.45 ChemAxon rotatable_bond_count 18 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 39663 Specdb::CMs 135618 Specdb::CMs 143352 Specdb::MsMs 659452 Specdb::MsMs 659453 Specdb::MsMs 659454 Specdb::MsMs 2611615 Specdb::MsMs 2611616 Specdb::MsMs 2611617 Specdb::MsMs 2724668 Specdb::MsMs 2724669 Specdb::MsMs 2724670 Specdb::MsMs 2768810 Specdb::MsMs 2768811 Specdb::MsMs 2768812 Specdb::MsMs 2914043 Specdb::MsMs 2914044 Specdb::MsMs 2914045 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 FDB028252 4517636 5365676 75457