DGA

DIACYL GLYCEROL

Created:	2001-10-31
Last modified:	2024-09-27

Find Related PDB Entry
63 entries where DGA is found as a standalone ligand18 entries where DGA is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	120
Chiral Atom Count	1
Bond Count	119
Aromatic Bond Count	0

2D diagram of DGA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	DIACYL GLYCEROL
Systematic Name (OpenEye OEToolkits)	[(2S)-3-hydroxy-2-octadecanoyloxy-propyl] octadecanoate
Formula	C₃₉ H₇₆ O₅
Molecular Weight	625.018
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI	1.03	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
InChIKey	InChI	1.03	UHUSDOQQWJGJQS-QNGWXLTQSA-N

Related Resource References

Resource Name	Reference
PubChem	9543705
ChEBI	CHEBI:41847

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.