RefMet Compound Details

MW structure	73595 (View MW Metabolite Database details)
RefMet name	DG 18:1(9E)/0:0/0:0/18:1(9E)
Alternative name	DG(18:1(9E)/0:0/0:0/18:1(9E))
Systematic name	1,3-di-(9Z-octadecenoyl)-sn-glycerol
SMILES	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	DG 36:2	View other entries in RefMet with this sum composition
Exact mass	620.537975 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C39H72O5	View other entries in RefMet with this formula
InChI	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12 -10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+
InChIKey	DRAWQKGUORNASA-XPWSMXQVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Glycerolipids
Main Class	Diradylglycerols
Sub Class	DG
Pubchem CID	5316908
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving DG 18:1(9E)/0:0/0:0/18:1(9E)

Rxn ID	KEGG Reaction	Enzyme
R02240	ATP + 1,2-Diacyl-sn-glycerol <=> ADP + Phosphatidate	ATP:1,2-diacylglycerol 3-phosphotransferase
R02251	Triacylglycerol + CoA <=> 1,2-Diacyl-sn-glycerol + Acyl-CoA	acyl-CoA:1,2-diacyl-sn-glycerol O-acyltransferase
R02239	Phosphatidate + H2O <=> 1,2-Diacyl-sn-glycerol + Orthophosphate	1,2-diacyl-sn-glycerol 3-phosphate phosphohydrolase
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
R02250	Triacylglycerol + H2O <=> 1,2-Diacyl-sn-glycerol + Fatty acid	triacylglycerol acylhydrolase
R02687	1,2-Diacyl-sn-glycerol + H2O <=> 1-Acylglycerol + Fatty acid	1,2-diacyl-sn-glycerol acylhydrolase
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 18:1(9E)/0:0/0:0/18:1(9E)

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	8
hsa00564	Glycerophospholipid metabolism	4
hsa01100	Metabolic pathways	4
hsa04070	Phosphatidylinositol signaling system	3