1.0 2020-03-26 12:31:48 UTC 2020-04-22 20:17:59 UTC BMDB0109039 TG(18:4(6Z,9Z,12Z,15Z)/16:0/O-18:0) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-hexadecanoyl-3-octadecanyl-glycerol 1-Stearidonoyl-2-palmitoyl-3-stearyl-glycerol TAG(18:4/16:0/18:0) TAG(52:4) TG(18:4/16:0/18:0) TG(52:4) Tracylglycerol(18:4/16:0/18:0) Tracylglycerol(52:4) Triacylglycerol Triglyceride TG(18:4(6Z,9Z,12Z,15Z)/16:0/o-18:0) (2R)-2-(Hexadecanoyloxy)-3-(octadecyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid C55H100O5 841.4 840.75707632 (2R)-2-(hexadecanoyloxy)-3-(octadecyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2R)-2-(hexadecanoyloxy)-3-(octadecyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,53H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-52H2,1-3H3/b11-8-,20-17-,28-26-,36-33-/t53-/m1/s1 RFAHDGWFMJJHSD-SFUQCYMGSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 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 Glycerol ether Glycerolipid Hydrocarbon derivative Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 11.03 ALOGPS logs -8.19 ALOGPS logp 19.64 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-(octadecyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 841.4 ChemAxon mono_mass 840.75707632 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C55H100O5 ChemAxon inchi InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,53H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-52H2,1-3H3/b11-8-,20-17-,28-26-,36-33-/t53-/m1/s1 ChemAxon inchikey RFAHDGWFMJJHSD-SFUQCYMGSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 264.41 ChemAxon polarizability 112.29 ChemAxon rotatable_bond_count 50 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 191064 Specdb::MsMs 322552 Specdb::MsMs 322553 Specdb::MsMs 322554 Specdb::MsMs 370483 Specdb::MsMs 370484 Specdb::MsMs 370485 Specdb::MsMs 2687951 Specdb::MsMs 2687952 Specdb::MsMs 2687953 Specdb::MsMs 2994077 Specdb::MsMs 2994078 Specdb::MsMs 2994079 131765895