1.0 2020-03-25 16:20:45 UTC 2020-04-22 19:00:56 UTC BMDB0096882 TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) 1-Palmitoleoyl-2-oleoyl-3-linoleoyl-glycerol TAG(16:1/18:1/18:2) TAG(16:1n7/18:1n9/18:2n6) TAG(16:1W7/18:1W9/18:2W6) TAG(52:4) TG(16:1/18:1/18:2) TG(16:1n7/18:1n9/18:2n6) TG(16:1W7/18:1W9/18:2W6) TG(52:4) Tracylglycerol(16:1/18:1/18:2) Tracylglycerol(16:1n7/18:1n9/18:2n6) Tracylglycerol(16:1W7/18:1W9/18:2W6) Tracylglycerol(52:4) Triacylglycerol Triglyceride 1-(9Z-Hexadecenoyl)-2-(9Z-octadecenoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) C55H98O6 855.383 854.736340876 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,52H,4-15,17-18,20,22-23,29-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t52-/m0/s1 WHSWXEYWNPTUPW-JRKROUSYSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.75 ALOGPS logs -8.11 ALOGPS logp 19.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 855.383 ChemAxon mono_mass 854.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C55H98O6 ChemAxon inchi InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,52H,4-15,17-18,20,22-23,29-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t52-/m0/s1 ChemAxon inchikey WHSWXEYWNPTUPW-JRKROUSYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.16 ChemAxon polarizability 111.89 ChemAxon rotatable_bond_count 50 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 678895 Specdb::MsMs 678896 Specdb::MsMs 678897 Specdb::MsMs 968161 Specdb::MsMs 968162 Specdb::MsMs 968163 Specdb::MsMs 2333701 Specdb::MsMs 2333702 Specdb::MsMs 2333703 Specdb::MsMs 2348810 Specdb::MsMs 2348811 Specdb::MsMs 2348812 Specdb::MsMs 2405615 Specdb::MsMs 2405616 Specdb::MsMs 2405617 Specdb::MsMs 2586472 Specdb::MsMs 2586473 Specdb::MsMs 2586474 Specdb::MsMs 2970285 Specdb::MsMs 2970286 Specdb::MsMs 2970287 25240364 7823057 FDB023716 C00422 Triacylglycerols