1.0 2020-03-25 17:54:53 UTC 2020-04-22 19:08:06 UTC BMDB0098015 TG(15:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Pentadecanoyl-2-(9Z-hexadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Pentadecanoyl-2-palmitoleoyl-3-docosahexaenoyl-glycerol TAG(15:0/16:1/22:6) TAG(53:7) TG(15:0/16:1/22:6) TG(53:7) Tracylglycerol(15:0/16:1/22:6) Tracylglycerol(53:7) Triacylglycerol Triglyceride TG(15:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C56H94O6 863.362 862.705040747 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,34-32-,43-40-/t53-/m0/s1 CWFCMNQOBRJUEY-ZSIAZNKMSA-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 10.56 ALOGPS logs -8.22 ALOGPS logp 18.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 863.362 ChemAxon mono_mass 862.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C56H94O6 ChemAxon inchi InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,34-32-,43-40-/t53-/m0/s1 ChemAxon inchikey CWFCMNQOBRJUEY-ZSIAZNKMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 272.11 ChemAxon polarizability 110.33 ChemAxon rotatable_bond_count 48 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 243114 Specdb::MsMs 675739 Specdb::MsMs 675740 Specdb::MsMs 675741 Specdb::MsMs 2295276 Specdb::MsMs 2295277 Specdb::MsMs 2295278 Specdb::MsMs 2428021 Specdb::MsMs 2428022 Specdb::MsMs 2428023 Specdb::MsMs 2640460 Specdb::MsMs 2640461 Specdb::MsMs 2640462 Specdb::MsMs 2684577 Specdb::MsMs 2684578 Specdb::MsMs 2684579 Specdb::MsMs 3090280 Specdb::MsMs 3090281 Specdb::MsMs 3090282 131754346