1.0 2020-03-07 13:30:52 UTC 2020-04-22 18:35:43 UTC BMDB0089147 BMDB89147 TG(17:0/a-25:0/i-17:0)[rac] 1-margaroyl-2-anteisopentacosanoyl-3-isoheptadecanoyl-glycerol TAG(59:0) Triacylglycerol Triglyceride TAG(17:0/a-25:0/i-17:0) TG(17:0/a-25:0/i-17:0)[rac] Tracylglycerol(17:0/a-25:0/i-17:0) Tracylglycerol(59:0) TG(59:0) 1-heptadecanoyl-2-anteisopentacosanoyl-3-isoheptadecanoyl-glycerol TG(17:0/a-25:0/i-17:0) (2S)-1-(Heptadecanoyloxy)-3-[(15-methylhexadecanoyl)oxy]propan-2-yl 22-methyltetracosanoic acid C62H120O6 961.636 960.908491584 (2S)-1-(heptadecanoyloxy)-3-[(15-methylhexadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2S)-1-(heptadecanoyloxy)-3-[(15-methylhexadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-22-27-32-37-42-47-52-60(63)66-55-59(56-67-61(64)53-48-43-38-33-29-24-25-30-35-40-45-50-57(3)4)68-62(65)54-49-44-39-34-28-23-20-18-16-15-17-19-21-26-31-36-41-46-51-58(5)7-2/h57-59H,6-56H2,1-5H3/t58?,59-/m0/s1 VUYUPIRQQNPHQP-AUPLRJEGSA-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 10.56 ALOGPS logs -7.93 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(heptadecanoyloxy)-3-[(15-methylhexadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-22-27-32-37-42-47-52-60(63)66-55-59(56-67-61(64)53-48-43-38-33-29-24-25-30-35-40-45-50-57(3)4)68-62(65)54-49-44-39-34-28-23-20-18-16-15-17-19-21-26-31-36-41-46-51-58(5)7-2/h57-59H,6-56H2,1-5H3/t58?,59-/m0/s1 ChemAxon inchikey VUYUPIRQQNPHQP-AUPLRJEGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.8 ChemAxon polarizability 132.19 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 235364 Specdb::MsMs 566359 Specdb::MsMs 566360 Specdb::MsMs 566361 Specdb::MsMs 2470839 Specdb::MsMs 2470840 Specdb::MsMs 2470841 Specdb::MsMs 2727673 Specdb::MsMs 2727674 Specdb::MsMs 2727675 Specdb::MsMs 2814616 Specdb::MsMs 2814617 Specdb::MsMs 2814618 Specdb::MsMs 2900520 Specdb::MsMs 2900521 Specdb::MsMs 2900522 Specdb::MsMs 2978621 Specdb::MsMs 2978622 Specdb::MsMs 2978623 FDB079586 74871659 131815876