1.0 2020-03-26 05:43:51 UTC 2020-04-22 19:45:13 UTC BMDB0103883 TG(18:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z)) 1-(9Z-Octadecenoyl)-2-(13Z-docosenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Oleoyl-2-erucoyl-3-meadoyl-glycerol TAG(18:1/22:1/20:3) TAG(60:5) TG(18:1/22:1/20:3) TG(60:5) Tracylglycerol(18:1/22:1/20:3) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(18:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z)) C63H112O6 965.583 964.845891326 (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoate (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34-35,38,44,47,60H,4-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1 XODZXKPANKDXHP-FBVKJMAOSA-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 10.90 ALOGPS logs -8.22 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34-35,38,44,47,60H,4-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1 ChemAxon inchikey XODZXKPANKDXHP-FBVKJMAOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 127.73 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::CMs 233380 Specdb::MsMs 650257 Specdb::MsMs 650258 Specdb::MsMs 650259 Specdb::MsMs 956794 Specdb::MsMs 956795 Specdb::MsMs 956796 Specdb::MsMs 2308749 Specdb::MsMs 2308750 Specdb::MsMs 2308751 Specdb::MsMs 2830600 Specdb::MsMs 2830601 Specdb::MsMs 2830602 Specdb::MsMs 2848484 Specdb::MsMs 2848485 Specdb::MsMs 2848486 Specdb::MsMs 2943919 Specdb::MsMs 2943920 Specdb::MsMs 2943921 Specdb::MsMs 3058717 Specdb::MsMs 3058718 Specdb::MsMs 3058719 131760725