1.0 2020-03-25 18:47:41 UTC 2020-04-22 19:12:06 UTC BMDB0098648 TG(16:0/24:0/20:3(5Z,8Z,11Z)) 1-Hexadecanoyl-2-tetracosanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Palmitoyl-2-lignoceroyl-3-meadoyl-glycerol TAG(16:0/24:0/20:3) TAG(60:3) TG(16:0/24:0/20:3) TG(60:3) Tracylglycerol(16:0/24:0/20:3) Tracylglycerol(60:3) Triacylglycerol Triglyceride TG(16:0/24:0/20:3(5Z,8Z,11Z)) C63H116O6 969.615 968.877191455 (2S)-1-(hexadecanoyloxy)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl tetracosanoate (2S)-1-(hexadecanoyloxy)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,38,44,47,60H,4-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b28-26-,38-35-,47-44-/t60-/m0/s1 GKUAJCNVJMNRAV-HPCJMVLVSA-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 10.88 ALOGPS logs -8.18 ALOGPS logp 23.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 969.615 ChemAxon mono_mass 968.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H116O6 ChemAxon inchi InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,38,44,47,60H,4-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b28-26-,38-35-,47-44-/t60-/m0/s1 ChemAxon inchikey GKUAJCNVJMNRAV-HPCJMVLVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 299.85 ChemAxon polarizability 131.13 ChemAxon rotatable_bond_count 59 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 208450 Specdb::MsMs 639430 Specdb::MsMs 639431 Specdb::MsMs 639432 Specdb::MsMs 952549 Specdb::MsMs 952550 Specdb::MsMs 952551 Specdb::MsMs 2375756 Specdb::MsMs 2375757 Specdb::MsMs 2375758 Specdb::MsMs 2661514 Specdb::MsMs 2661515 Specdb::MsMs 2661516 Specdb::MsMs 2699953 Specdb::MsMs 2699954 Specdb::MsMs 2699955 Specdb::MsMs 3006123 Specdb::MsMs 3006124 Specdb::MsMs 3006125 Specdb::MsMs 3073368 Specdb::MsMs 3073369 Specdb::MsMs 3073370 131755095