1.0 2020-03-26 03:16:04 UTC 2020-04-22 19:34:32 UTC BMDB0102196 TG(14:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) 1-(9Z-Tetradecenoyl)-2-(15Z-tetracosanoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Myristoleoyl-2-nervonoyl-3-a-linolenoyl-glycerol TAG(14:1/24:1/18:3) TAG(56:5) TG(14:1/24:1/18:3) TG(56:5) Tracylglycerol(14:1/24:1/18:3) Tracylglycerol(56:5) Triacylglycerol Triglyceride TG(14:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) C59H104O6 909.475 908.783291069 (2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-/t56-/m0/s1 GAAJJNMUDMRTGP-KWQKOMGNSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.84 ALOGPS logs -8.18 ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 909.475 ChemAxon mono_mass 908.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C59H104O6 ChemAxon inchi InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-/t56-/m0/s1 ChemAxon inchikey GAAJJNMUDMRTGP-KWQKOMGNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 283.68 ChemAxon polarizability 119.79 ChemAxon rotatable_bond_count 53 ChemAxon acceptor_count 3 ChemAxon donor_count 0 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 212147 Specdb::MsMs 605914 Specdb::MsMs 605915 Specdb::MsMs 605916 Specdb::MsMs 938887 Specdb::MsMs 938888 Specdb::MsMs 938889 Specdb::MsMs 2445829 Specdb::MsMs 2445830 Specdb::MsMs 2445831 Specdb::MsMs 2465721 Specdb::MsMs 2465722 Specdb::MsMs 2465723 Specdb::MsMs 2496761 Specdb::MsMs 2496762 Specdb::MsMs 2496763 Specdb::MsMs 2762956 Specdb::MsMs 2762957 Specdb::MsMs 2762958 Specdb::MsMs 2868603 Specdb::MsMs 2868604 Specdb::MsMs 2868605 131758903