2.0 2012-10-10 13:28:19 -0600 2015-12-09 14:10:45 -0700 ECMDB23310 M2MDB003700 DG(18:1(9Z)/18:0/0:0) DG(18:1(9Z)/18:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(9Z)/18:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. 1-(9Z-octadecenoyl)-2-octadecanoyl-sn-glycerol 1-oleoyl-2-stearoyl-sn-glycerol DAG(18:1/18:0) DAG(18:1n9/18:0) DAG(18:1w9/18:0) DAG(36:1) DG(18:1/18:0) DG(18:1n9/18:0) DG(18:1w9/18:0) DG(36:1) Diacylglycerol Diacylglycerol(18:1/18:0) Diacylglycerol(18:1n9/18:0) Diacylglycerol(18:1w9/18:0) Diacylglycerol(36:1) Diglyceride C39H74O5 623.016 622.553625483 (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,37,40H,3-16,18,20-36H2,1-2H3/b19-17-/t37-/m0/s1 IIPIJHXZZCPSGV-DGZCRLAFSA-N Membrane logp 10.37 ALOGPS logs -7.61 ALOGPS solubility 1.53e-05 g/l ALOGPS logp 13.42 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate ChemAxon average_mass 623.016 ChemAxon mono_mass 622.553625483 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C39H74O5 ChemAxon inchi InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,37,40H,3-16,18,20-36H2,1-2H3/b19-17-/t37-/m0/s1 ChemAxon inchikey IIPIJHXZZCPSGV-DGZCRLAFSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 187.22 ChemAxon polarizability 83.04 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 47744 Specdb::CMs 547511 Specdb::CMs 792877 Specdb::NmrOneD 275578 Specdb::NmrOneD 275579 Specdb::NmrOneD 275580 Specdb::NmrOneD 275581 Specdb::NmrOneD 275582 Specdb::NmrOneD 275583 Specdb::NmrOneD 275584 Specdb::NmrOneD 275585 Specdb::NmrOneD 275586 Specdb::NmrOneD 275587 Specdb::NmrOneD 275588 Specdb::NmrOneD 275589 Specdb::NmrOneD 275590 Specdb::NmrOneD 275591 Specdb::NmrOneD 275592 Specdb::NmrOneD 275593 Specdb::NmrOneD 275594 Specdb::NmrOneD 275595 Specdb::NmrOneD 275596 Specdb::NmrOneD 275597 Specdb::MsMs 2329827 Specdb::MsMs 2329828 Specdb::MsMs 2329829 Specdb::MsMs 2635330 Specdb::MsMs 2635331 Specdb::MsMs 2635332 HMDB07216 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A Phosphatidylglycerophosphatase B P0A924 PGPB_ECOLI pgpB http://ecmdb.ca/proteins/P0A924.xml Diacylglycerol kinase P0ABN1 KDGL_ECOLI dgkA http://ecmdb.ca/proteins/P0ABN1.xml