1.0 2020-03-26 05:29:10 UTC 2020-04-22 19:44:04 UTC BMDB0103703 TG(18:1(9Z)/15:0/18:2(9Z,12Z)) 1-(9Z-Octadecenoyl)-2-pentadecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Oleoyl-2-pentadecanoyl-3-linoleoyl-glycerol TAG(18:1/15:0/18:2) TAG(51:3) TG(18:1/15:0/18:2) TG(51:3) Tracylglycerol(18:1/15:0/18:2) Tracylglycerol(51:3) Triacylglycerol Triglyceride TG(18:1(9Z)/15:0/18:2(9Z,12Z)) C54H98O6 843.372 842.736340876 (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,51H,4-15,17-18,20-24,29-50H2,1-3H3/b19-16-,27-25-,28-26-/t51-/m1/s1 WZQHACRHKQJTGS-GBFVOJRPSA-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 10.76 ALOGPS logs -8.12 ALOGPS logp 19.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 843.372 ChemAxon mono_mass 842.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C54H98O6 ChemAxon inchi InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,51H,4-15,17-18,20-24,29-50H2,1-3H3/b19-16-,27-25-,28-26-/t51-/m1/s1 ChemAxon inchikey WZQHACRHKQJTGS-GBFVOJRPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 258.44 ChemAxon polarizability 110.98 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::MsMs 586330 Specdb::MsMs 586331 Specdb::MsMs 586332 Specdb::MsMs 931033 Specdb::MsMs 931034 Specdb::MsMs 931035 Specdb::MsMs 2332439 Specdb::MsMs 2332440 Specdb::MsMs 2332441 Specdb::MsMs 2657761 Specdb::MsMs 2657762 Specdb::MsMs 2657763 Specdb::MsMs 2819985 Specdb::MsMs 2819986 Specdb::MsMs 2819987 Specdb::MsMs 2889730 Specdb::MsMs 2889731 Specdb::MsMs 2889732 Specdb::MsMs 3118669 Specdb::MsMs 3118670 Specdb::MsMs 3118671 131760520