1.0 2020-03-26 09:22:16 UTC 2020-04-22 20:02:25 UTC BMDB0106583 TG(18:3(6Z,9Z,12Z)/14:0/18:4(6Z,9Z,12Z,15Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-tetradecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-g-Linolenoyl-2-myristoyl-3-stearidonoyl-glycerol TAG(18:3/14:0/18:4) TAG(50:7) TG(18:3/14:0/18:4) TG(50:7) Tracylglycerol(18:3/14:0/18:4) Tracylglycerol(50:7) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/14:0/18:4(6Z,9Z,12Z,15Z)) C53H88O6 821.281 820.658090554 (2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31-34,50H,4-6,8-9,11-15,18,21-23,28-30,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-/t50-/m1/s1 VVVNSDLSXSUPJU-XFXGAPEFSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.21 ALOGPS logs -8.20 ALOGPS logp 17.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 821.281 ChemAxon mono_mass 820.658090554 ChemAxon smiles [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C53H88O6 ChemAxon inchi InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31-34,50H,4-6,8-9,11-15,18,21-23,28-30,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-/t50-/m1/s1 ChemAxon inchikey VVVNSDLSXSUPJU-XFXGAPEFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 258.31 ChemAxon polarizability 103.67 ChemAxon rotatable_bond_count 45 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 570055 Specdb::MsMs 570056 Specdb::MsMs 570057 Specdb::MsMs 924472 Specdb::MsMs 924473 Specdb::MsMs 924474 Specdb::MsMs 2298633 Specdb::MsMs 2298634 Specdb::MsMs 2298635 Specdb::MsMs 2324407 Specdb::MsMs 2324408 Specdb::MsMs 2324409 Specdb::MsMs 2449708 Specdb::MsMs 2449709 Specdb::MsMs 2449710 Specdb::MsMs 2485731 Specdb::MsMs 2485732 Specdb::MsMs 2485733 Specdb::MsMs 3042133 Specdb::MsMs 3042134 Specdb::MsMs 3042135 131763504