RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153343
RefMet name	ETrE(5Z,8Z,11Z)
Alternative name	ETrE(5Z, 8Z, 11Z)
Systematic name	5Z,8Z,11Z-eicosatrienoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:3	View other entries in RefMet with this sum composition
Exact mass	306.255880 (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	C20H34O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	798 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10 -9-,13-12-,16-15-
InChIKey	UNSRRHDPHVZAHH-YOILPLPUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	HETrE
Distribution of ETrE(5Z,8Z,11Z) 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 ETrE(5Z,8Z,11Z)
External Links
Pubchem CID	5312531
LIPID MAPS	LMFA01030381
ChEBI ID	72865
KEGG ID	C21938
HMDB ID	HMDB0010378
Chemspider ID	4471956
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)