2.0 2012-08-09 09:25:03 -0600 2015-06-03 17:21:34 -0600 ECMDB21466 M2MDB001861 1,2-Dioctadecanoyl-sn-glycerol 1,2-dioctadecanoyl-sn-glycerol is a member of the chemical class known as Diacylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. 1,2-dioctadecanoyl-sn-glycerol is an intermediate in the synthesis of phopsholipids and glycerolipids with a pair of C18 chains. ()-(S)-Glycerin-1,2-distearat (2S)-1,2-bis-O-stearylglycerol (2S)-3-hydroxypropane-1,2-diyl dioctadecanoate (2S)-3-hydroxypropane-1,2-diyl dioctadecanoic acid (2S)-3-hydroxypropane-1,2-diyl distearoate (2S)-3-hydroxypropane-1,2-diyl distearoic acid (S)-()-1,2-distearoyl-sn-glycerol (S)-1,2-distearoylglycerol (S)-2,3-bis-stearoyloxy-propan-1-ol 1,2-Di-O-stearoyl-sn-glycerol 1,2-Dioctadecanoyl-sn-glycerol 1,2-Distearoyl-sn-glycerol DG(18:0/18:0/0:0) DIACYL GLYCEROL C39H76O5 625.0177 624.569275542 (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadecanoate diacyl glycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 UHUSDOQQWJGJQS-QNGWXLTQSA-N Membrane logp 10.36 ALOGPS logs -7.57 ALOGPS solubility 1.68e-05 g/l ALOGPS logp 13.78 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadecanoate ChemAxon average_mass 625.0177 ChemAxon mono_mass 624.569275542 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C39H76O5 ChemAxon inchi InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 ChemAxon inchikey UHUSDOQQWJGJQS-QNGWXLTQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 186.1 ChemAxon polarizability 83.2 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 39271 Specdb::CMs 560795 Specdb::CMs 792956 Specdb::NmrOneD 283669 Specdb::NmrOneD 283670 Specdb::NmrOneD 283671 Specdb::NmrOneD 283672 Specdb::NmrOneD 283673 Specdb::NmrOneD 283674 Specdb::NmrOneD 283675 Specdb::NmrOneD 283676 Specdb::NmrOneD 283677 Specdb::NmrOneD 283678 Specdb::NmrOneD 283679 Specdb::NmrOneD 283680 Specdb::NmrOneD 283681 Specdb::NmrOneD 283682 Specdb::NmrOneD 283683 Specdb::NmrOneD 283684 Specdb::NmrOneD 283685 Specdb::NmrOneD 283686 Specdb::NmrOneD 283687 Specdb::NmrOneD 283688 Specdb::MsMs 650917 Specdb::MsMs 650918 Specdb::MsMs 650919 Specdb::MsMs 1478965 Specdb::MsMs 1478966 Specdb::MsMs 1478967 Specdb::MsMs 1478968 Specdb::MsMs 1478969 Specdb::MsMs 2827101 Specdb::MsMs 2827102 Specdb::MsMs 2827103 Specdb::MsMs 2851729 Specdb::MsMs 2851730 Specdb::MsMs 2851731 Specdb::MsMs 3023856 Specdb::MsMs 3023857 Specdb::MsMs 3023858 Specdb::MsMs 3026769 Specdb::MsMs 3026770 Specdb::MsMs 3026771 9543705 7822655 41847 DGA van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 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