1.0 2020-03-26 12:20:04 UTC 2020-04-22 20:17:02 UTC BMDB0108888 TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) Triacylglycerol Tracylglycerol(18:3/16:1/18:3) 1-a-Linolenoyl-2-palmitoleoyl-3-a-linolenoyl-glycerol Triglyceride TG(52:7) TAG(18:3/16:1/18:3) TAG(52:7) Tracylglycerol(52:7) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(9Z-hexadecenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol TG(18:3/16:1/18:3) TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) C55H92O6 849.3154 848.689390676 2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,52H,4-6,9,12-15,18,22-23,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26- YFKHHKBKCWJRNN-UNGMIAJPSA-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 10.38 ALOGPS logs -8.22 ALOGPS logp 18.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 849.3154 ChemAxon mono_mass 848.689390676 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C55H92O6 ChemAxon inchi InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,52H,4-6,9,12-15,18,22-23,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26- ChemAxon inchikey YFKHHKBKCWJRNN-UNGMIAJPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 267.51 ChemAxon polarizability 108.75 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::MsMs 641215 Specdb::MsMs 641216 Specdb::MsMs 641217 Specdb::MsMs 2428090 Specdb::MsMs 2428091 Specdb::MsMs 2428092 Specdb::MsMs 2511481 Specdb::MsMs 2511482 Specdb::MsMs 2511483 Specdb::MsMs 2803441 Specdb::MsMs 2803442 Specdb::MsMs 2803443 Specdb::MsMs 3063985 Specdb::MsMs 3063986 Specdb::MsMs 3063987 Specdb::MsMs 3114779 Specdb::MsMs 3114780 Specdb::MsMs 3114781 131765742