1.0 2020-03-26 04:41:30 UTC 2020-04-22 19:40:28 UTC BMDB0103132 TG(16:1(9Z)/O-18:0/22:4(7Z,10Z,13Z,16Z)) 1-(9Z-Hexadecenoyl)-2-octadecanyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Palmitoleoyl-2-stearyl-3-adrenoyl-glycerol TAG(16:1/18:0/22:4) TAG(56:5) TG(16:1/18:0/22:4) TG(56:5) Tracylglycerol(16:1/18:0/22:4) Tracylglycerol(56:5) Triacylglycerol Triglyceride TG(16:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z)) (2S)-3-[(9Z)-Hexadec-9-enoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid C59H106O5 895.492 894.804026513 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-/t57-/m0/s1 GHSNPVRGTJGZTR-TYTOGENMSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 11.08 ALOGPS logs -8.24 ALOGPS logp 21.05 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 895.492 ChemAxon mono_mass 894.804026513 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C59H106O5 ChemAxon inchi InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-/t57-/m0/s1 ChemAxon inchikey GHSNPVRGTJGZTR-TYTOGENMSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 283.93 ChemAxon polarizability 120.83 ChemAxon rotatable_bond_count 53 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 298414 Specdb::MsMs 298415 Specdb::MsMs 298416 Specdb::MsMs 340165 Specdb::MsMs 340166 Specdb::MsMs 340167 Specdb::MsMs 2295585 Specdb::MsMs 2295586 Specdb::MsMs 2295587 Specdb::MsMs 2642781 Specdb::MsMs 2642782 Specdb::MsMs 2642783 131759876