1.0 2020-03-26 04:08:07 UTC 2020-04-22 19:38:30 UTC BMDB0102822 TG(16:1(9Z)/24:1(15Z)/O-18:0) 1-(9Z-Hexadecenoyl)-2-(15Z-tetracosanoyl)-3-octadecanyl-glycerol 1-Palmitoleoyl-2-nervonoyl-3-stearyl-glycerol TAG(16:1/24:1/18:0) TAG(58:2) TG(16:1/24:1/18:0) TG(58:2) Tracylglycerol(16:1/24:1/18:0) Tracylglycerol(58:2) Triacylglycerol Triglyceride TG(16:1(9Z)/24:1(15Z)/o-18:0) (2R)-1-[(9Z)-Hexadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoic acid C61H116O5 929.594 928.882276835 (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoate (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-/t59-/m1/s1 OXJWMXOKVXQQKX-JLSFSZCSSA-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 10.94 ALOGPS logs -8.00 ALOGPS logp 23.03 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 929.594 ChemAxon mono_mass 928.882276835 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C61H116O5 ChemAxon inchi InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-/t59-/m1/s1 ChemAxon inchikey OXJWMXOKVXQQKX-JLSFSZCSSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 289.78 ChemAxon polarizability 127.52 ChemAxon rotatable_bond_count 58 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 288880 Specdb::MsMs 288881 Specdb::MsMs 288882 Specdb::MsMs 328141 Specdb::MsMs 328142 Specdb::MsMs 328143 Specdb::MsMs 3039979 Specdb::MsMs 3039980 Specdb::MsMs 3039981 Specdb::MsMs 3101034 Specdb::MsMs 3101035 Specdb::MsMs 3101036 Specdb::CMs 233539 131759558