1.0 2020-03-25 15:46:59 UTC 2020-04-22 18:58:21 UTC BMDB0096473 DG(16:1n7/0:0/18:1n9) (2S)-3-[(7Z)-Hexadec-7-enoyloxy]-2-hydroxypropyl (9Z)-octadec-9-enoic acid Diacylglycerol(16:1W7/0:0/18:1W9) DG(16:1W7/0:0/18:1W9) DG(34:2) DAG(16:1N7/0:0/18:1N9) Diglyceride Diacylglycerol(16:1/0:0/18:1) DAG(16:1/0:0/18:1) Diacylglycerol DAG(34:2) DG(16:1/0:0/18:1) 1-Palmitoleoyl-3-oleoyl-sn-glycerol Diacylglycerol(16:1n7/0:0/18:1n9) DAG(16:1W7/0:0/18:1W9) 1-(9Z-Hexadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol Diacylglycerol(34:2) DG(16:1n7/0:0/18:1n9) C37H68O5 592.946 592.50667529 (2S)-3-[(7Z)-hexadec-7-enoyloxy]-2-hydroxypropyl (9Z)-octadec-9-enoate (2S)-3-[(7Z)-hexadec-7-enoyloxy]-2-hydroxypropyl (9Z)-octadec-9-enoate [H][C@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-19,21,35,38H,3-16,20,22-34H2,1-2H3/b18-17-,21-19-/t35-/m1/s1 PIXMWKQIEXNBMU-ZCTQXUJQSA-N belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,3-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols 1,3-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds logp 10.01 ALOGPS logs -7.64 ALOGPS logp 12.17 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-3-[(7Z)-hexadec-7-enoyloxy]-2-hydroxypropyl (9Z)-octadec-9-enoate ChemAxon average_mass 592.946 ChemAxon mono_mass 592.50667529 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC ChemAxon formula C37H68O5 ChemAxon inchi InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-19,21,35,38H,3-16,20,22-34H2,1-2H3/b18-17-,21-19-/t35-/m1/s1 ChemAxon inchikey PIXMWKQIEXNBMU-ZCTQXUJQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 179.13 ChemAxon polarizability 77.28 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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 902365 Specdb::MsMs 902366 Specdb::MsMs 902367 Specdb::MsMs 947611 Specdb::MsMs 947612 Specdb::MsMs 947613 Specdb::MsMs 2421825 Specdb::MsMs 2421826 Specdb::MsMs 2421827 Specdb::MsMs 2513719 Specdb::MsMs 2513720 Specdb::MsMs 2513721 Specdb::CMs 33110 Specdb::CMs 47774 Specdb::CMs 221150 Specdb::CMs 282944 Specdb::CMs 424748 Specdb::NmrOneD 306391 Specdb::NmrOneD 306392 Specdb::NmrOneD 306393 Specdb::NmrOneD 306394 Specdb::NmrOneD 306395 Specdb::NmrOneD 306396 Specdb::NmrOneD 306397 Specdb::NmrOneD 306398 Specdb::NmrOneD 306399 Specdb::NmrOneD 306400 Specdb::NmrOneD 306401 Specdb::NmrOneD 306402 Specdb::NmrOneD 306403 Specdb::NmrOneD 306404 Specdb::NmrOneD 306405 Specdb::NmrOneD 306406 Specdb::NmrOneD 306407 Specdb::NmrOneD 306408 Specdb::NmrOneD 306409 Specdb::NmrOneD 306410 74854515 131801868 FDB098618