1.0 2020-03-26 05:37:51 UTC 2020-04-22 19:44:45 UTC BMDB0103811 TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) 1-(9Z-Octadecenoyl)-2-(9Z-hexadecenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Oleoyl-2-palmitoleoyl-3-meadoyl-glycerol TAG(18:1/16:1/20:3) TAG(54:5) TG(18:1/16:1/20:3) TG(54:5) Tracylglycerol(18:1/16:1/20:3) Tracylglycerol(54:5) Triacylglycerol Triglyceride TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) C57H100O6 881.421 880.75199094 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,38,41,54H,4-20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1 SRKCJTCWCCPZMA-ZNLZJBMVSA-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 10.78 ALOGPS logs -8.16 ALOGPS logp 19.78 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 881.421 ChemAxon mono_mass 880.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C57H100O6 ChemAxon inchi InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,38,41,54H,4-20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1 ChemAxon inchikey SRKCJTCWCCPZMA-ZNLZJBMVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 274.48 ChemAxon polarizability 114.89 ChemAxon rotatable_bond_count 51 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 242984 Specdb::MsMs 581239 Specdb::MsMs 581240 Specdb::MsMs 581241 Specdb::MsMs 928969 Specdb::MsMs 928970 Specdb::MsMs 928971 Specdb::MsMs 2319596 Specdb::MsMs 2319597 Specdb::MsMs 2319598 Specdb::MsMs 2686920 Specdb::MsMs 2686921 Specdb::MsMs 2686922 Specdb::MsMs 2957394 Specdb::MsMs 2957395 Specdb::MsMs 2957396 Specdb::MsMs 2979302 Specdb::MsMs 2979303 Specdb::MsMs 2979304 Specdb::MsMs 2991578 Specdb::MsMs 2991579 Specdb::MsMs 2991580 131760644