1.0 2020-03-25 16:57:11 UTC 2020-04-22 19:03:42 UTC BMDB0097319 TG(14:0/20:3(5Z,8Z,11Z)/14:1(9Z)) 1-Myristoyl-2-meadoyl-3-myristoleoyl-glycerol 1-Tetradecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(9Z-tetradecenoyl)-glycerol TAG(14:0/20:3/14:1) TAG(48:4) TG(14:0/20:3/14:1) TG(48:4) Tracylglycerol(14:0/20:3/14:1) Tracylglycerol(48:4) Triacylglycerol Triglyceride TG(14:0/20:3(5Z,8Z,11Z)/14:1(9Z)) C51H90O6 799.275 798.673740618 (2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z)-icosa-5,8,11-trienoate (2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z)-icosa-5,8,11-trienoate [H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCCC InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,23-24,26-27,33,36,48H,4-13,15-16,18-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,24-23-,27-26-,36-33-/t48-/m1/s1 PSYMEAYETASNQE-BUTBCIOGSA-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 10.62 ALOGPS logs -8.05 ALOGPS logp 17.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z)-icosa-5,8,11-trienoate ChemAxon average_mass 799.275 ChemAxon mono_mass 798.673740618 ChemAxon smiles [H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCCC ChemAxon formula C51H90O6 ChemAxon inchi InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,23-24,26-27,33,36,48H,4-13,15-16,18-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,24-23-,27-26-,36-33-/t48-/m1/s1 ChemAxon inchikey PSYMEAYETASNQE-BUTBCIOGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.76 ChemAxon polarizability 103.83 ChemAxon rotatable_bond_count 46 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::MsMs 587620 Specdb::MsMs 587621 Specdb::MsMs 587622 Specdb::MsMs 931606 Specdb::MsMs 931607 Specdb::MsMs 931608 Specdb::MsMs 2328927 Specdb::MsMs 2328928 Specdb::MsMs 2328929 Specdb::MsMs 2331300 Specdb::MsMs 2331301 Specdb::MsMs 2331302 Specdb::MsMs 2602958 Specdb::MsMs 2602959 Specdb::MsMs 2602960 Specdb::MsMs 2634167 Specdb::MsMs 2634168 Specdb::MsMs 2634169 Specdb::MsMs 2969199 Specdb::MsMs 2969200 Specdb::MsMs 2969201 131753565