1.0 2020-03-25 18:36:52 UTC 2020-04-22 19:11:17 UTC BMDB0098518 TG(15:0/O-18:0/24:0) 1-Pentadecanoyl-2-octadecanyl-3-tetracosanoyl-glycerol 1-Pentadecanoyl-2-stearyl-3-lignoceroyl-glycerol TAG(15:0/18:0/24:0) TAG(57:0) TG(15:0/18:0/24:0) TG(57:0) Tracylglycerol(15:0/18:0/24:0) Tracylglycerol(57:0) Triacylglycerol Triglyceride TG(15:0/o-18:0/24:0) (2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl tetracosanoic acid C60H118O5 919.599 918.8979269 (2S)-2-(octadecyloxy)-3-(pentadecanoyloxy)propyl tetracosanoate (2S)-2-(octadecyloxy)-3-(pentadecanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-57-58(56-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1 IIMKDTSZPJUEJP-XKJQNMSGSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 10.78 ALOGPS logs -7.89 ALOGPS logp 23.31 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-2-(octadecyloxy)-3-(pentadecanoyloxy)propyl tetracosanoate ChemAxon average_mass 919.599 ChemAxon mono_mass 918.8979269 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C60H118O5 ChemAxon inchi InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-57-58(56-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m0/s1 ChemAxon inchikey IIMKDTSZPJUEJP-XKJQNMSGSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 282.94 ChemAxon polarizability 129.14 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 246970 Specdb::MsMs 324208 Specdb::MsMs 324209 Specdb::MsMs 324210 Specdb::MsMs 372565 Specdb::MsMs 372566 Specdb::MsMs 372567 Specdb::MsMs 2701612 Specdb::MsMs 2701613 Specdb::MsMs 2701614 Specdb::MsMs 3007877 Specdb::MsMs 3007878 Specdb::MsMs 3007879 131754924