1.0 2020-03-26 08:59:04 UTC 2020-04-22 20:00:28 UTC BMDB0106275 TG(18:2(9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 1-(9Z,12Z-Octadecadienoyl)-2-(9Z-tetradecenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Linoleoyl-2-myristoleoyl-3-eicsoatetraenoyl-glycerol TAG(18:2/14:1/20:4) TAG(52:7) TG(18:2/14:1/20:4) TG(52:7) Tracylglycerol(18:2/14:1/20:4) Tracylglycerol(52:7) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C55H92O6 849.335 848.689390682 (2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,52H,4-6,8-9,11-14,21-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1 YXMSOXMWNURSEO-LKGYTFKESA-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 10.37 ALOGPS logs -8.23 ALOGPS logp 18.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 849.335 ChemAxon mono_mass 848.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C55H92O6 ChemAxon inchi InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,52H,4-6,8-9,11-14,21-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1 ChemAxon inchikey YXMSOXMWNURSEO-LKGYTFKESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 267.51 ChemAxon polarizability 107.52 ChemAxon rotatable_bond_count 47 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 197435 Specdb::MsMs 678544 Specdb::MsMs 678545 Specdb::MsMs 678546 Specdb::MsMs 968023 Specdb::MsMs 968024 Specdb::MsMs 968025 Specdb::MsMs 2477045 Specdb::MsMs 2477046 Specdb::MsMs 2477047 Specdb::MsMs 2701165 Specdb::MsMs 2701166 Specdb::MsMs 2701167 Specdb::MsMs 2799451 Specdb::MsMs 2799452 Specdb::MsMs 2799453 Specdb::MsMs 3057667 Specdb::MsMs 3057668 Specdb::MsMs 3057669 Specdb::MsMs 3112250 Specdb::MsMs 3112251 Specdb::MsMs 3112252 131763189