RefMet Compound Details

MW structure93671 (View MW Metabolite Database details)
RefMet nameTG 11:0/11:0/11:0
Alternative nameTG(11:0/11:0/11:0)
Systematic name1,3-bis(undecanoyloxy)propan-2-yl undecanoate
SMILESCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCCC
Sum CompositionTG 33:0 View other entries in RefMet with this sum composition
Exact mass596.501590 (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
FormulaC36H68O6View other entries in RefMet with this formula
InChIInChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
InChIKeyMBXVIRZWSHICAV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassGlycerolipids
Main ClassTriradylglycerols
Sub ClassTAG (Triacylglycerols)
Pubchem CID83574
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving TG 11:0/11:0/11:0

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

Table of KEGG human pathways containing TG 11:0/11:0/11:0

Pathway IDHuman Pathway# of reactions
hsa00561 Glycerolipid metabolism 2
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