RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0133285 | |
---|---|---|
RefMet name | DG 16:0/16:0/0:0 | |
Synonyms | PubChem Synonyms | |
Exact mass | 568.5067 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C35H68O5 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 5795 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | JEJLGIQLPYYGEE-XIFFEERXSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Glycerolipids | |
Main Class | Diradylglycerols | |
Sub Class | DAG (Diacylglycerols) | |
Distribution of DG 16:0/16:0/0:0 in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting DG 16:0/16:0/0:0 | |
External Links | ||
Pubchem CID | 644078 | |
LIPID MAPS | LMGL02010009 | |
ChEBI ID | 82929 | |
KEGG ID | C00641 | |
HMDB ID | HMDB0007098 | |
Chemspider ID | 559127 | |
MetaCyc ID | CPD66-34 | |
Spectral data for DG 16:0/16:0/0:0 standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |
Table of KEGG reactions in human pathways involving DG 16:0/16:0/0:0
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R02239 | Phosphatidate + H2O <=> 1,2-Diacyl-sn-glycerol + Orthophosphate | 1,2-diacyl-sn-glycerol 3-phosphate phosphohydrolase |
R02240 | ATP + 1,2-Diacyl-sn-glycerol <=> ADP + Phosphatidate | ATP:1,2-diacylglycerol 3-phosphotransferase |
R02250 | Triacylglycerol + H2O <=> 1,2-Diacyl-sn-glycerol + Fatty acid | triacylglycerol acylhydrolase |
R02251 | Triacylglycerol + CoA <=> 1,2-Diacyl-sn-glycerol + Acyl-CoA | acyl-CoA:1,2-diacyl-sn-glycerol O-acyltransferase |
R02687 | 1,2-Diacyl-sn-glycerol + H2O <=> 1-Acylglycerol + Fatty acid | 1,2-diacyl-sn-glycerol acylhydrolase |
R03755 | Acyl-CoA + 1-Acylglycerol <=> CoA + 1,2-Diacyl-sn-glycerol | acyl-CoA:2-acylglycerol O-acyltransferase |
R03756 | 2,3-Dehydroacyl-CoA + 1-Acylglycerol <=> CoA + 1,2-Diacyl-sn-glycerol | 2,3-dehydroacyl-CoA:2-acylglycerol O-acyltransferase |
R05333 | Phospholipid + 1,2-Diacyl-sn-glycerol <=> Lysophospholipid + Triacylglycerol | Phospholipid:1,2-diacyl-sn-glycerol O-acyltransferase |
R09944 | CTP + 1,2-Diacyl-sn-glycerol <=> CDP + Phosphatidate | CTP:1,2-diacyl-sn-glycerol 3-phosphotransferase |
Table of KEGG human pathways containing DG 16:0/16:0/0:0
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa00561 | Glycerolipid metabolism | 8 |
hsa00564 | Glycerophospholipid metabolism | 4 |
hsa01100 | Metabolic pathways | 4 |
hsa04070 | Phosphatidylinositol signaling system | 3 |