1.0 2020-03-26 03:42:23 UTC 2020-04-22 19:36:35 UTC BMDB0102522 TG(14:1(9Z)/O-18:0/20:3(5Z,8Z,11Z)) 1-(9Z-Tetradecenoyl)-2-octadecanyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Myristoleoyl-2-stearyl-3-meadoyl-glycerol TAG(14:1/18:0/20:3) TAG(52:4) TG(14:1/18:0/20:3) TG(52:4) Tracylglycerol(14:1/18:0/20:3) Tracylglycerol(52:4) Triacylglycerol Triglyceride TG(14:1(9Z)/o-18:0/20:3(5Z,8Z,11Z)) (2S)-2-(Octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,11Z)-icosa-5,8,11-trienoic acid C55H100O5 841.4 840.75707632 (2S)-2-(octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-2-(octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,53H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t53-/m0/s1 MZZJMNRFEVFLDN-SJXDCQGXSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 11.04 ALOGPS logs -8.19 ALOGPS logp 19.64 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-2-(octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 841.4 ChemAxon mono_mass 840.75707632 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C55H100O5 ChemAxon inchi InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,53H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t53-/m0/s1 ChemAxon inchikey MZZJMNRFEVFLDN-SJXDCQGXSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 264.41 ChemAxon polarizability 113.22 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 319483 Specdb::MsMs 319484 Specdb::MsMs 319485 Specdb::MsMs 366613 Specdb::MsMs 366614 Specdb::MsMs 366615 Specdb::MsMs 2454391 Specdb::MsMs 2454392 Specdb::MsMs 2454393 Specdb::MsMs 2483763 Specdb::MsMs 2483764 Specdb::MsMs 2483765 131759237