1.0 2020-03-07 07:54:30 UTC 2020-04-22 18:03:45 UTC BMDB0084078 BMDB84078 TG(a-15:0/19:0/a-25:0)[rac] 1-anteisopentadecanoyl-2-nonadecanoyl-3-anteisopentacosanoyl-glycerol TAG(59:0) Triacylglycerol Tracylglycerol(a-15:0/19:0/a-25:0) Triglyceride TG(a-15:0/19:0/a-25:0)[rac] Tracylglycerol(59:0) TG(a-15:0/19:0/a-25:0) TG(59:0) TAG(a-15:0/19:0/a-25:0) C62H120O6 961.636 960.908491584 (2R)-3-[(12-methyltetradecanoyl)oxy]-2-(nonadecanoyloxy)propyl 22-methyltetracosanoate (2R)-3-[(12-methyltetradecanoyl)oxy]-2-(nonadecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C62H120O6/c1-6-9-10-11-12-13-14-15-16-22-26-29-32-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-34-33-36-41-46-51-58(5)8-3)55-66-60(63)52-47-42-37-31-28-25-23-20-18-17-19-21-24-27-30-35-40-45-50-57(4)7-2/h57-59H,6-56H2,1-5H3/t57?,58?,59-/m1/s1 JNPILMYBMQZPCH-MEIKJETISA-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 10.61 ALOGPS logs -7.93 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(12-methyltetradecanoyl)oxy]-2-(nonadecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-6-9-10-11-12-13-14-15-16-22-26-29-32-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-34-33-36-41-46-51-58(5)8-3)55-66-60(63)52-47-42-37-31-28-25-23-20-18-17-19-21-24-27-30-35-40-45-50-57(4)7-2/h57-59H,6-56H2,1-5H3/t57?,58?,59-/m1/s1 ChemAxon inchikey JNPILMYBMQZPCH-MEIKJETISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.8 ChemAxon polarizability 131.98 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::MsMs 592495 Specdb::MsMs 592496 Specdb::MsMs 592497 Specdb::MsMs 2406992 Specdb::MsMs 2406993 Specdb::MsMs 2406994 Specdb::MsMs 2555961 Specdb::MsMs 2555962 Specdb::MsMs 2555963 Specdb::MsMs 2721564 Specdb::MsMs 2721565 Specdb::MsMs 2721566 Specdb::MsMs 2761921 Specdb::MsMs 2761922 Specdb::MsMs 2761923 Specdb::MsMs 2960628 Specdb::MsMs 2960629 Specdb::MsMs 2960630 FDB074515 74866636 131810842