1.0 2020-03-06 03:34:13 UTC 2020-04-22 17:02:07 UTC BMDB0074374 BMDB74374 TG(a-25:0/12:0/14:0)[rac] 1-anteisopentacosanoyl-2-lauroyl-3-myristoyl-glycerol TG(a-25:0/12:0/14:0) TG(51:0) Tag(a-25:0/12:0/14:0) Tag(51:0) Triacylglycerol(a-25:0/12:0/14:0) Triacylglycerol(51:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-dodecanoyl-3-tetradecanoyl-glycerol Tracylglycerol(51:0) 1-anteisopentacosanoyl-2-dodecanoyl-3-myristoyl-glycerol TG(a-25:0/12:0/14:0)[rac] Tracylglycerol(a-25:0/12:0/14:0) C54H104O6 849.42 848.783291069 (2R)-2-(dodecanoyloxy)-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate (2R)-2-(dodecanoyloxy)-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC InChI=1S/C54H104O6/c1-5-8-10-12-14-16-25-30-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-28-15-13-11-9-6-2)49-59-53(56)46-42-38-34-31-27-24-22-20-18-17-19-21-23-26-29-32-36-40-44-50(4)7-3/h50-51H,5-49H2,1-4H3/t50?,51-/m1/s1 LXDRDFYAEHHZDD-HUWKAXHXSA-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 10.59 ALOGPS logs -7.89 ALOGPS logp 20.1 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(dodecanoyloxy)-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 849.42 ChemAxon mono_mass 848.783291069 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC ChemAxon formula C54H104O6 ChemAxon inchi InChI=1S/C54H104O6/c1-5-8-10-12-14-16-25-30-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-28-15-13-11-9-6-2)49-59-53(56)46-42-38-34-31-27-24-22-20-18-17-19-21-23-26-29-32-36-40-44-50(4)7-3/h50-51H,5-49H2,1-4H3/t50?,51-/m1/s1 ChemAxon inchikey LXDRDFYAEHHZDD-HUWKAXHXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 255.04 ChemAxon polarizability 115.32 ChemAxon rotatable_bond_count 52 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 644824 Specdb::MsMs 644825 Specdb::MsMs 644826 Specdb::MsMs 2302062 Specdb::MsMs 2302063 Specdb::MsMs 2302064 Specdb::MsMs 2365180 Specdb::MsMs 2365181 Specdb::MsMs 2365182 Specdb::MsMs 2652425 Specdb::MsMs 2652426 Specdb::MsMs 2652427 Specdb::MsMs 3064257 Specdb::MsMs 3064258 Specdb::MsMs 3064259 Specdb::MsMs 3113618 Specdb::MsMs 3113619 Specdb::MsMs 3113620 FDB042998 131777827