1.0 2020-03-25 18:35:11 UTC 2020-04-22 19:11:09 UTC BMDB0098498 TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) 1-Pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Pentadecanoyl-2-docosahexaenoyl-3-linoleoyl-glycerol TAG(15:0/22:6/18:2) TAG(55:8) TG(15:0/22:6/18:2) TG(55:8) Tracylglycerol(15:0/22:6/18:2) Tracylglycerol(55:8) Triacylglycerol Triglyceride TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C58H96O6 889.4 888.720690811 (2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1 VYCHJWCSQAUKAI-NCOZDHJASA-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 Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.48 ALOGPS logs -8.28 ALOGPS logp 19.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 889.4 ChemAxon mono_mass 888.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C58H96O6 ChemAxon inchi InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-/t55-/m0/s1 ChemAxon inchikey VYCHJWCSQAUKAI-NCOZDHJASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.43 ChemAxon polarizability 113.57 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 241666 Specdb::MsMs 594358 Specdb::MsMs 594359 Specdb::MsMs 594360 Specdb::MsMs 934303 Specdb::MsMs 934304 Specdb::MsMs 934305 Specdb::MsMs 2654087 Specdb::MsMs 2654088 Specdb::MsMs 2654089 Specdb::MsMs 2747611 Specdb::MsMs 2747612 Specdb::MsMs 2747613 Specdb::MsMs 2931366 Specdb::MsMs 2931367 Specdb::MsMs 2931368 Specdb::MsMs 3106802 Specdb::MsMs 3106803 Specdb::MsMs 3106804 Specdb::MsMs 3108561 Specdb::MsMs 3108562 Specdb::MsMs 3108563 131754904