RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138480
RefMet name	CE 20:4
Alternative name	CE(20:4)
Systematic name	(8Z,11Z,14Z,17Z)-eicosa-8,11,14,17-tetraenoic acid [(3S,10R,13R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
Sum Composition	CE 20:4	View other entries in RefMet with this sum composition
Exact mass	672.584530 (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	C47H76O2	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Sterol esters
Sub Class	Chol. esters (Cholesterol esters)
Distribution of CE 20:4 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 CE 20:4
External Links
ChEBI ID	183798
KEGG ID	C02530
Structural annotation level
Annotation level	4   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CE 20:4

Rxn ID	KEGG Reaction	Enzyme
R01461	Acyl-CoA + Cholesterol <=> CoA + Cholesterol ester	Acyl-CoA:cholesterol O-acyltransferase
R01462	Cholesterol ester + H2O <=> Cholesterol + Fatty acid	cholesterol ester acylhydrolase

Table of KEGG human pathways containing CE 20:4

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	2