1.0 2020-03-25 17:54:23 UTC 2020-04-22 19:08:03 UTC BMDB0098009 TG(15:0/16:1(9Z)/22:2(13Z,16Z)) 1-Pentadecanoyl-2-(9Z-hexadecenoyl)-3-(13Z,16Z-docosadienoyl)-glycerol 1-Pentadecanoyl-2-palmitoleoyl-3-docosadienoyl-glycerol TAG(15:0/16:1/22:2) TAG(53:3) TG(15:0/16:1/22:2) TG(53:3) Tracylglycerol(15:0/16:1/22:2) Tracylglycerol(53:3) Triacylglycerol Triglyceride TG(15:0/16:1(9Z)/22:2(13Z,16Z)) C56H102O6 871.426 870.767641004 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-/t53-/m0/s1 WSAGKPNKUPSBIL-FQPHMWNESA-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 10.81 ALOGPS logs -8.12 ALOGPS logp 20.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 871.426 ChemAxon mono_mass 870.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C56H102O6 ChemAxon inchi InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-/t53-/m0/s1 ChemAxon inchikey WSAGKPNKUPSBIL-FQPHMWNESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 267.65 ChemAxon polarizability 115.18 ChemAxon rotatable_bond_count 52 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 191537 Specdb::MsMs 583048 Specdb::MsMs 583049 Specdb::MsMs 583050 Specdb::MsMs 929692 Specdb::MsMs 929693 Specdb::MsMs 929694 Specdb::MsMs 2392984 Specdb::MsMs 2392985 Specdb::MsMs 2392986 Specdb::MsMs 2400774 Specdb::MsMs 2400775 Specdb::MsMs 2400776 Specdb::MsMs 2537594 Specdb::MsMs 2537595 Specdb::MsMs 2537596 Specdb::MsMs 2783590 Specdb::MsMs 2783591 Specdb::MsMs 2783592 Specdb::MsMs 2923741 Specdb::MsMs 2923742 Specdb::MsMs 2923743 131754338