RefMet Compound Details

MW structure6357 (View MW Metabolite Database details)
RefMet nameTG 18:0/18:0/18:0
Alternative nameTG(18:0/18:0/18:0)
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionTG 54:0 View other entries in RefMet with this sum composition
Exact mass890.830240 (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
FormulaC57H110O6View other entries in RefMet with this formula
InChIInChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15
-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
InChIKeyDCXXMTOCNZCJGO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassGlycerolipids
Main ClassTriradylglycerols
Sub ClassTG
Pubchem CID11146
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving TG 18:0/18:0/18:0

Rxn IDKEGG ReactionEnzyme
R02250 Triacylglycerol + H2O <=> 1,2-Diacyl-sn-glycerol + Fatty acidtriacylglycerol acylhydrolase
R05333 Phospholipid + 1,2-Diacyl-sn-glycerol <=> Lysophospholipid + TriacylglycerolPhospholipid:1,2-diacyl-sn-glycerol O-acyltransferase
R02251 Triacylglycerol + CoA <=> 1,2-Diacyl-sn-glycerol + Acyl-CoAacyl-CoA:1,2-diacyl-sn-glycerol O-acyltransferase
R01350 Glycerol + Fatty acid <=> TriacylglycerolGlycerol acylhydrolase

Table of KEGG human pathways containing TG 18:0/18:0/18:0

Pathway IDHuman Pathway# of reactions
hsa00561 Glycerolipid metabolism 3
hsa01100 Metabolic pathways 1
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