1.0 2016-10-03 18:21:21 UTC 2020-05-11 19:19:00 UTC BMDB0011590 BMDB11590 MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) Glycerolipid 1-(6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoyl)-sn-glycerol Glycerolipid(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) 1-Monoacylglyceride 1-Monoacylglycerol MG(24:6) MAG(24:6) MG(24:6/0:0/0:0) MAG(24:6/0:0/0:0) (2S)-2,3-Dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoic acid C27H42O4 430.62 430.308309832 (2S)-2,3-dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate (2S)-2,3-dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate [H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,28-29H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m0/s1 SPDDTJMNQZVMGO-FJXNLOIUSA-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 6.35 ALOGPS logs -5.95 ALOGPS logp 6.47 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2,3-dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate ChemAxon average_mass 430.62 ChemAxon mono_mass 430.308309832 ChemAxon smiles [H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C27H42O4 ChemAxon inchi InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,28-29H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m0/s1 ChemAxon inchikey SPDDTJMNQZVMGO-FJXNLOIUSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 137.62 ChemAxon polarizability 51.57 ChemAxon rotatable_bond_count 20 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 39714 Specdb::CMs 169724 Specdb::MsMs 632731 Specdb::MsMs 632732 Specdb::MsMs 632733 Specdb::MsMs 2684493 Specdb::MsMs 2684494 Specdb::MsMs 2684495 Specdb::MsMs 2732829 Specdb::MsMs 2732830 Specdb::MsMs 2732831 Specdb::MsMs 2823695 Specdb::MsMs 2823696 Specdb::MsMs 2823697 Specdb::MsMs 2972292 Specdb::MsMs 2972293 Specdb::MsMs 2972294 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 FDB028303 24765808 53480998