1.0 2020-03-26 10:54:04 UTC 2020-04-22 20:10:05 UTC BMDB0107794 TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-2-(9Z-tetradecenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Arachidonoyl-2-myristoleoyl-3-adrenoyl-glycerol TAG(20:4/14:1/22:4) TAG(56:9) TG(20:4/14:1/22:4) TG(56:9) Tracylglycerol(20:4/14:1/22:4) Tracylglycerol(56:9) Triacylglycerol Triglyceride TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C59H96O6 901.411 900.720690811 (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38-39,42,56H,4-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1 ZYRKKZMTAMUMHI-DYBVBBFCSA-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 10.23 ALOGPS logs -8.28 ALOGPS logp 19.22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 901.411 ChemAxon mono_mass 900.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C59H96O6 ChemAxon inchi InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38-39,42,56H,4-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1 ChemAxon inchikey ZYRKKZMTAMUMHI-DYBVBBFCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 288.15 ChemAxon polarizability 115.54 ChemAxon rotatable_bond_count 49 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 230885 Specdb::MsMs 627562 Specdb::MsMs 627563 Specdb::MsMs 627564 Specdb::MsMs 947674 Specdb::MsMs 947675 Specdb::MsMs 947676 Specdb::MsMs 2305548 Specdb::MsMs 2305549 Specdb::MsMs 2305550 Specdb::MsMs 2317475 Specdb::MsMs 2317476 Specdb::MsMs 2317477 Specdb::MsMs 2361116 Specdb::MsMs 2361117 Specdb::MsMs 2361118 Specdb::MsMs 2600792 Specdb::MsMs 2600793 Specdb::MsMs 2600794 Specdb::MsMs 2955546 Specdb::MsMs 2955547 Specdb::MsMs 2955548 131764710