2.0 2015-09-08 19:02:44 -0600 2015-12-09 14:11:36 -0700 ECMDB24350 M2MDB006467 DG(19:0/0:0/18:1(11Z)) DG(19:0/0:0/18:1(11Z)) 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. It is involved in the phospholipid metabolic pathway. C40H76O5 637.043 636.569275547 (2R)-3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propyl nonadecanoate (2R)-3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propyl nonadecanoate [H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m1/s1 CABJNYNWYJTXFY-GFPLNVHWSA-N logp 10.44 ALOGPS logs -7.60 ALOGPS solubility 1.58e-05 g/l ALOGPS logp 13.86 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propyl nonadecanoate ChemAxon average_mass 637.043 ChemAxon mono_mass 636.569275547 ChemAxon smiles [H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C40H76O5 ChemAxon inchi InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m1/s1 ChemAxon inchikey CABJNYNWYJTXFY-GFPLNVHWSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 191.82 ChemAxon polarizability 85.12 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086934 Specdb::NmrOneD 327552 Specdb::NmrOneD 327553 Specdb::NmrOneD 327554 Specdb::NmrOneD 327555 Specdb::NmrOneD 327556 Specdb::NmrOneD 327557 Specdb::NmrOneD 327558 Specdb::NmrOneD 327559 Specdb::NmrOneD 327560 Specdb::NmrOneD 327561 Specdb::NmrOneD 327562 Specdb::NmrOneD 327563 Specdb::NmrOneD 327564 Specdb::NmrOneD 327565 Specdb::NmrOneD 327566 Specdb::NmrOneD 327567 Specdb::NmrOneD 327568 Specdb::NmrOneD 327569 Specdb::NmrOneD 327570 Specdb::NmrOneD 327571 Specdb::MsMs 3631605 Specdb::MsMs 3631606 Specdb::MsMs 3631607 Specdb::MsMs 3631608 Specdb::MsMs 3631609 Specdb::MsMs 3631610 Specdb::MsMs 3631611 Specdb::MsMs 3631612 Specdb::MsMs 3631613 Specdb::MsMs 3631614 Specdb::MsMs 3631615 Specdb::MsMs 3631616 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