1.0 2020-03-06 03:41:59 UTC 2020-04-22 17:04:17 UTC BMDB0074717 BMDB74717 TG(10:0/17:0/a-21:0)[rac] 1-decanoyl-2-margaroyl-3-anteisoheneicosanoyl-glycerol TG(10:0/17:0/a-21:0) TG(48:0) Tag(10:0/17:0/a-21:0) Tag(48:0) Triacylglycerol(10:0/17:0/a-21:0) Triacylglycerol(48:0) Triacylglycerol Triglyceride 1-animal fats-2-margaroyl-3-anteisoheneicosanoyl-glycerol Tracylglycerol(10:0/17:0/a-21:0) 1-decanoic acid-2-heptadecanoyl-3-anteisoheneicosanoyl-glycerol Tracylglycerol(48:0) TG(10:0/17:0/a-21:0)[rac] C51H98O6 807.339 806.736340876 (2S)-3-(decanoyloxy)-2-(heptadecanoyloxy)propyl 18-methylicosanoate (2S)-3-(decanoyloxy)-2-(heptadecanoyloxy)propyl 18-methylicosanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C51H98O6/c1-5-8-10-12-14-15-16-17-21-25-28-32-36-40-44-51(54)57-48(45-55-49(52)42-38-34-29-13-11-9-6-2)46-56-50(53)43-39-35-31-27-24-22-19-18-20-23-26-30-33-37-41-47(4)7-3/h47-48H,5-46H2,1-4H3/t47?,48-/m0/s1 IVGWWWRVXVNTKZ-HOMNMMCZSA-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 10.53 ALOGPS logs -7.87 ALOGPS logp 18.77 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(decanoyloxy)-2-(heptadecanoyloxy)propyl 18-methylicosanoate ChemAxon average_mass 807.339 ChemAxon mono_mass 806.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-5-8-10-12-14-15-16-17-21-25-28-32-36-40-44-51(54)57-48(45-55-49(52)42-38-34-29-13-11-9-6-2)46-56-50(53)43-39-35-31-27-24-22-19-18-20-23-26-30-33-37-41-47(4)7-3/h47-48H,5-46H2,1-4H3/t47?,48-/m0/s1 ChemAxon inchikey IVGWWWRVXVNTKZ-HOMNMMCZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.24 ChemAxon polarizability 108.71 ChemAxon rotatable_bond_count 49 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 245221 Specdb::MsMs 677035 Specdb::MsMs 677036 Specdb::MsMs 677037 Specdb::MsMs 2260333 Specdb::MsMs 2260334 Specdb::MsMs 2260335 Specdb::MsMs 2484090 Specdb::MsMs 2484091 Specdb::MsMs 2484092 Specdb::MsMs 2519439 Specdb::MsMs 2519440 Specdb::MsMs 2519441 Specdb::MsMs 2834430 Specdb::MsMs 2834431 Specdb::MsMs 2834432 Specdb::MsMs 3077883 Specdb::MsMs 3077884 Specdb::MsMs 3077885 FDB043341 131778146