1.0 2020-03-26 03:04:05 UTC 2020-04-22 19:33:37 UTC BMDB0102051 TG(14:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) 1-(9Z-Tetradecenoyl)-2-(9Z-tetradecenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Myristoleoyl-2-myristoleoyl-3-a-linolenoyl-glycerol TAG(14:1/14:1/18:3) TAG(46:5) TG(14:1/14:1/18:3) TG(46:5) Tracylglycerol(14:1/14:1/18:3) Tracylglycerol(46:5) Triacylglycerol Triglyceride TG(14:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) C49H84O6 769.205 768.626790425 (2S)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (2S)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14-19,23-24,46H,4-6,8-9,11-13,20-22,25-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-/t46-/m0/s1 AQVDIFNGLUYFSO-LBCKHNAJSA-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 10.29 ALOGPS logs -7.97 ALOGPS logp 16.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 769.205 ChemAxon mono_mass 768.626790425 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C49H84O6 ChemAxon inchi InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14-19,23-24,46H,4-6,8-9,11-13,20-22,25-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-/t46-/m0/s1 ChemAxon inchikey AQVDIFNGLUYFSO-LBCKHNAJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 237.67 ChemAxon polarizability 98.55 ChemAxon rotatable_bond_count 43 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 634462 Specdb::MsMs 634463 Specdb::MsMs 634464 Specdb::MsMs 950536 Specdb::MsMs 950537 Specdb::MsMs 950538 Specdb::MsMs 2447937 Specdb::MsMs 2447938 Specdb::MsMs 2447939 Specdb::MsMs 2694900 Specdb::MsMs 2694901 Specdb::MsMs 2694902 Specdb::MsMs 2801227 Specdb::MsMs 2801228 Specdb::MsMs 2801229 Specdb::MsMs 2868939 Specdb::MsMs 2868940 Specdb::MsMs 2868941 Specdb::MsMs 2877314 Specdb::MsMs 2877315 Specdb::MsMs 2877316 131758742