1.0 2020-03-26 04:01:08 UTC 2020-04-22 19:38:00 UTC BMDB0102742 TG(16:1(9Z)/20:1(11Z)/24:1(15Z)) 1-(9Z-Hexadecenoyl)-2-(11-eicosenoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Palmitoleoyl-2-eicosenoyl-3-nervonoyl-glycerol TAG(16:1/20:1/24:1) TAG(60:3) TG(16:1/20:1/24:1) TG(60:3) Tracylglycerol(16:1/20:1/24:1) Tracylglycerol(60:3) Triacylglycerol Triglyceride TG(16:1(9Z)/20:1(11Z)/24:1(15Z)) C63H116O6 969.615 968.877191455 (2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propyl (15Z)-tetracos-15-enoate (2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-/t60-/m0/s1 WNUCOTRZBRFTHH-TZDGBVHQSA-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 10.80 ALOGPS logs -8.18 ALOGPS logp 23.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 969.615 ChemAxon mono_mass 968.877191455 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H116O6 ChemAxon inchi InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-/t60-/m0/s1 ChemAxon inchikey WNUCOTRZBRFTHH-TZDGBVHQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 299.85 ChemAxon polarizability 130.1 ChemAxon rotatable_bond_count 59 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 205727 Specdb::MsMs 658003 Specdb::MsMs 658004 Specdb::MsMs 658005 Specdb::MsMs 959812 Specdb::MsMs 959813 Specdb::MsMs 959814 Specdb::MsMs 2485707 Specdb::MsMs 2485708 Specdb::MsMs 2485709 Specdb::MsMs 2628362 Specdb::MsMs 2628363 Specdb::MsMs 2628364 Specdb::MsMs 2726624 Specdb::MsMs 2726625 Specdb::MsMs 2726626 Specdb::MsMs 3038153 Specdb::MsMs 3038154 Specdb::MsMs 3038155 Specdb::MsMs 3105791 Specdb::MsMs 3105792 Specdb::MsMs 3105793 131759478