1.0 2020-03-26 03:15:58 UTC 2020-04-22 19:34:31 UTC BMDB0102195 TG(14:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(9Z-Tetradecenoyl)-2-(15Z-tetracosanoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Myristoleoyl-2-nervonoyl-3-osbondoyl-glycerol TAG(14:1/24:1/22:5) TAG(60:7) TG(14:1/24:1/22:5) TG(60:7) Tracylglycerol(14:1/24:1/22:5) Tracylglycerol(60:7) Triacylglycerol Triglyceride TG(14:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H108O6 961.551 960.814591198 (2S)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,47,50,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1 KAYCQJCEFHDHCG-SRHPTLRPSA-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 10.87 ALOGPS logs -8.09 ALOGPS logp 21.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 961.551 ChemAxon mono_mass 960.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H108O6 ChemAxon inchi InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,47,50,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-/t60-/m0/s1 ChemAxon inchikey KAYCQJCEFHDHCG-SRHPTLRPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 304.32 ChemAxon polarizability 124.79 ChemAxon rotatable_bond_count 55 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 656734 Specdb::MsMs 656735 Specdb::MsMs 656736 Specdb::MsMs 959302 Specdb::MsMs 959303 Specdb::MsMs 959304 Specdb::MsMs 2510983 Specdb::MsMs 2510984 Specdb::MsMs 2510985 Specdb::MsMs 2620712 Specdb::MsMs 2620713 Specdb::MsMs 2620714 Specdb::MsMs 2776289 Specdb::MsMs 2776290 Specdb::MsMs 2776291 Specdb::MsMs 2832744 Specdb::MsMs 2832745 Specdb::MsMs 2832746 Specdb::MsMs 2906256 Specdb::MsMs 2906257 Specdb::MsMs 2906258 131758902