1.0 2020-03-25 18:23:49 UTC 2020-04-22 19:10:17 UTC BMDB0098361 TG(15:0/18:3(9Z,12Z,15Z)/18:1(11Z)) 1-Pentadecanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(11Z-octadecenoyl)-glycerol 1-Pentadecanoyl-2-a-linolenoyl-3-vaccenoyl-glycerol TAG(15:0/18:3/18:1) TAG(51:4) TG(15:0/18:3/18:1) TG(51:4) Tracylglycerol(15:0/18:3/18:1) Tracylglycerol(51:4) Triacylglycerol Triglyceride TG(15:0/18:3(9Z,12Z,15Z)/18:1(11Z)) C54H96O6 841.356 840.720690811 (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,51H,4-7,9-10,12-16,18,21,23-25,27,29-50H2,1-3H3/b11-8-,20-17-,22-19-,28-26-/t51-/m0/s1 XFWXMBNECNYGJG-FTMSDEAXSA-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 10.74 ALOGPS logs -8.08 ALOGPS logp 18.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 841.356 ChemAxon mono_mass 840.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C54H96O6 ChemAxon inchi InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,51H,4-7,9-10,12-16,18,21,23-25,27,29-50H2,1-3H3/b11-8-,20-17-,22-19-,28-26-/t51-/m0/s1 ChemAxon inchikey XFWXMBNECNYGJG-FTMSDEAXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.56 ChemAxon polarizability 109.87 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 217446 Specdb::MsMs 677989 Specdb::MsMs 677990 Specdb::MsMs 677991 Specdb::MsMs 967825 Specdb::MsMs 967826 Specdb::MsMs 967827 Specdb::MsMs 2501624 Specdb::MsMs 2501625 Specdb::MsMs 2501626 Specdb::MsMs 2793455 Specdb::MsMs 2793456 Specdb::MsMs 2793457 Specdb::MsMs 2815066 Specdb::MsMs 2815067 Specdb::MsMs 2815068 Specdb::MsMs 2884802 Specdb::MsMs 2884803 Specdb::MsMs 2884804 Specdb::MsMs 2958564 Specdb::MsMs 2958565 Specdb::MsMs 2958566 131754755