1.0 2020-03-26 04:08:02 UTC 2020-04-22 19:38:30 UTC BMDB0102821 TG(16:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(9Z-Hexadecenoyl)-2-(15Z-tetracosanoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Palmitoleoyl-2-nervonoyl-3-docosahexaenoyl-glycerol TAG(16:1/24:1/22:6) TAG(62:8) TG(16:1/24:1/22:6) TG(62:8) Tracylglycerol(16:1/24:1/22:6) Tracylglycerol(62:8) Triacylglycerol Triglyceride TG(16:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H110O6 987.589 986.830241262 (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1 OKNASQVAXBVIAK-CWNKDHJGSA-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 10.84 ALOGPS logs -8.13 ALOGPS logp 22.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 987.589 ChemAxon mono_mass 986.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C65H110O6 ChemAxon inchi InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,43-40-,52-49-/t62-/m0/s1 ChemAxon inchikey OKNASQVAXBVIAK-CWNKDHJGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 314.64 ChemAxon polarizability 127.63 ChemAxon rotatable_bond_count 56 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 220111 Specdb::MsMs 619555 Specdb::MsMs 619556 Specdb::MsMs 619557 Specdb::MsMs 944431 Specdb::MsMs 944432 Specdb::MsMs 944433 Specdb::MsMs 2333806 Specdb::MsMs 2333807 Specdb::MsMs 2333808 Specdb::MsMs 2599221 Specdb::MsMs 2599222 Specdb::MsMs 2599223 Specdb::MsMs 2632346 Specdb::MsMs 2632347 Specdb::MsMs 2632348 Specdb::MsMs 2704433 Specdb::MsMs 2704434 Specdb::MsMs 2704435 Specdb::MsMs 2758242 Specdb::MsMs 2758243 Specdb::MsMs 2758244 131759557