1.0 2020-03-26 03:49:16 UTC 2020-04-22 19:37:09 UTC BMDB0102609 TG(16:1(9Z)/20:0/20:3(5Z,8Z,11Z)) 1-(9Z-Hexadecenoyl)-2-eicosanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Palmitoleoyl-2-arachidonyl-3-meadoyl-glycerol TAG(16:1/20:0/20:3) TAG(56:4) TG(16:1/20:0/20:3) TG(56:4) Tracylglycerol(16:1/20:0/20:3) Tracylglycerol(56:4) Triacylglycerol Triglyceride TG(16:1(9Z)/20:0/20:3(5Z,8Z,11Z)) C59H106O6 911.491 910.798941133 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,31,34,40,43,56H,4-20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b24-21-,27-25-,34-31-,43-40-/t56-/m0/s1 WIIMVWVINPJLTF-LXMTVLJSSA-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 10.87 ALOGPS logs -8.14 ALOGPS logp 21.03 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 911.491 ChemAxon mono_mass 910.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C59H106O6 ChemAxon inchi InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,31,34,40,43,56H,4-20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b24-21-,27-25-,34-31-,43-40-/t56-/m0/s1 ChemAxon inchikey WIIMVWVINPJLTF-LXMTVLJSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.56 ChemAxon polarizability 120.84 ChemAxon rotatable_bond_count 54 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 196331 Specdb::MsMs 609634 Specdb::MsMs 609635 Specdb::MsMs 609636 Specdb::MsMs 940441 Specdb::MsMs 940442 Specdb::MsMs 940443 Specdb::MsMs 2294580 Specdb::MsMs 2294581 Specdb::MsMs 2294582 Specdb::MsMs 2337568 Specdb::MsMs 2337569 Specdb::MsMs 2337570 Specdb::MsMs 2701531 Specdb::MsMs 2701532 Specdb::MsMs 2701533 Specdb::MsMs 3007922 Specdb::MsMs 3007923 Specdb::MsMs 3007924 Specdb::MsMs 3046375 Specdb::MsMs 3046376 Specdb::MsMs 3046377 131759333