1.0 2020-03-26 03:53:48 UTC 2020-04-22 19:37:28 UTC BMDB0102658 TG(16:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z)) 1-(9Z-Hexadecenoyl)-2-tetracosanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Palmitoleoyl-2-lignoceroyl-3-arachidonoyl-glycerol TAG(16:1/24:0/20:4) TAG(60:5) TG(16:1/24:0/20:4) TG(60:5) Tracylglycerol(16:1/24:0/20:4) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(16:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 965.583 964.845891326 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl tetracosanoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,44,47,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-,47-44-/t60-/m0/s1 YYVDCJLPCNWCCR-YOGIAVCXSA-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 10.92 ALOGPS logs -8.21 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,44,47,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-,47-44-/t60-/m0/s1 ChemAxon inchikey YYVDCJLPCNWCCR-YOGIAVCXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 128.12 ChemAxon rotatable_bond_count 57 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::MsMs 677518 Specdb::MsMs 677519 Specdb::MsMs 677520 Specdb::MsMs 967624 Specdb::MsMs 967625 Specdb::MsMs 967626 Specdb::MsMs 2435926 Specdb::MsMs 2435927 Specdb::MsMs 2435928 Specdb::MsMs 2469631 Specdb::MsMs 2469632 Specdb::MsMs 2469633 Specdb::MsMs 2525895 Specdb::MsMs 2525896 Specdb::MsMs 2525897 Specdb::MsMs 2595931 Specdb::MsMs 2595932 Specdb::MsMs 2595933 Specdb::MsMs 2694273 Specdb::MsMs 2694274 Specdb::MsMs 2694275