1.0 2020-03-06 03:59:30 UTC 2020-04-22 17:09:13 UTC BMDB0075498 BMDB75498 TG(8:0/17:0/14:0) 1-capryloyl-2-margaroyl-3-myristoyl-glycerol TG(39:0) Tag(8:0/17:0/14:0) Tag(39:0) Triacylglycerol(8:0/17:0/14:0) Triacylglycerol(39:0) Triacylglycerol Triglyceride TG(8:0/17:0/14:0) 1-capryloyl-2-margaroyl-3-tetradecanoyl-glycerol TG(39:0) TAG(8:0/17:0/14:0) Tracylglycerol(39:0) Triacylglycerol TAG(39:0) Tracylglycerol(8:0/17:0/14:0) 1-octanoyl-2-heptadecanoyl-3-myristoyl-glycerol C42H80O6 681.096 680.595490296 (2S)-1-(octanoyloxy)-3-(tetradecanoyloxy)propan-2-yl heptadecanoate (2S)-1-(octanoyloxy)-3-(tetradecanoyloxy)propan-2-yl heptadecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C42H80O6/c1-4-7-10-13-15-17-19-20-21-23-25-27-30-33-36-42(45)48-39(37-46-40(43)34-31-28-12-9-6-3)38-47-41(44)35-32-29-26-24-22-18-16-14-11-8-5-2/h39H,4-38H2,1-3H3/t39-/m0/s1 ZHLYYVWMOAOURJ-KDXMTYKHSA-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 10.13 ALOGPS logs -7.73 ALOGPS logp 14.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(octanoyloxy)-3-(tetradecanoyloxy)propan-2-yl heptadecanoate ChemAxon average_mass 681.096 ChemAxon mono_mass 680.595490296 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C42H80O6 ChemAxon inchi InChI=1S/C42H80O6/c1-4-7-10-13-15-17-19-20-21-23-25-27-30-33-36-42(45)48-39(37-46-40(43)34-31-28-12-9-6-3)38-47-41(44)35-32-29-26-24-22-18-16-14-11-8-5-2/h39H,4-38H2,1-3H3/t39-/m0/s1 ChemAxon inchikey ZHLYYVWMOAOURJ-KDXMTYKHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 199.88 ChemAxon polarizability 89.86 ChemAxon rotatable_bond_count 41 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 194130 Specdb::MsMs 663085 Specdb::MsMs 663086 Specdb::MsMs 663087 Specdb::MsMs 2463228 Specdb::MsMs 2463229 Specdb::MsMs 2463230 Specdb::MsMs 2499650 Specdb::MsMs 2499651 Specdb::MsMs 2499652 Specdb::MsMs 2524164 Specdb::MsMs 2524165 Specdb::MsMs 2524166 Specdb::MsMs 2608854 Specdb::MsMs 2608855 Specdb::MsMs 2608856 Specdb::MsMs 2844344 Specdb::MsMs 2844345 Specdb::MsMs 2844346 131778925 FDB044127