1.0 2020-03-26 09:27:49 UTC 2020-04-22 20:02:54 UTC BMDB0106658 TG(18:3(6Z,9Z,12Z)/24:0/18:3(9Z,12Z,15Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-tetracosanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-g-Linolenoyl-2-lignoceroyl-3-a-linolenoyl-glycerol TAG(18:3/24:0/18:3) TAG(60:6) TG(18:3/24:0/18:3) TG(60:6) Tracylglycerol(18:3/24:0/18:3) Tracylglycerol(60:6) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/24:0/18:3(9Z,12Z,15Z)) C63H110O6 963.567 962.830241262 (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl tetracosanoate (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl tetracosanoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,41,44,60H,4-7,9-10,12-16,19,22-25,28-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,44-41-/t60-/m1/s1 SLHARRPKIAUULE-VUGHRXNESA-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 10.91 ALOGPS logs -8.18 ALOGPS logp 22.09 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 963.567 ChemAxon mono_mass 962.830241262 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H110O6 ChemAxon inchi InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,41,44,60H,4-7,9-10,12-16,19,22-25,28-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,44-41-/t60-/m1/s1 ChemAxon inchikey SLHARRPKIAUULE-VUGHRXNESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 303.2 ChemAxon polarizability 127.67 ChemAxon rotatable_bond_count 56 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 231725 Specdb::MsMs 672313 Specdb::MsMs 672314 Specdb::MsMs 672315 Specdb::MsMs 965455 Specdb::MsMs 965456 Specdb::MsMs 965457 Specdb::MsMs 2296487 Specdb::MsMs 2296488 Specdb::MsMs 2296489 Specdb::MsMs 2338414 Specdb::MsMs 2338415 Specdb::MsMs 2338416 Specdb::MsMs 2351758 Specdb::MsMs 2351759 Specdb::MsMs 2351760 Specdb::MsMs 2623535 Specdb::MsMs 2623536 Specdb::MsMs 2623537 Specdb::MsMs 3046978 Specdb::MsMs 3046979 Specdb::MsMs 3046980 131763587