RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0140099
RefMet name	5S,6S-epoxy-18R-HEPE
Systematic name	5S,6S-epoxy,18R-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:6;O2	View other entries in RefMet with this sum composition
Exact mass	332.198760 (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	C20H28O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2729 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H ,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19+/m1/s1
InChIKey	ZPAJZAMPZXISSE-SIPVSCHGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC[C@H](/C=C/C=C\C/C=C\C=C\C=C\[C@H]1[C@H](CCCC(=O)O)O1)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	HEPE
Distribution of 5S,6S-epoxy-18R-HEPE 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 5S,6S-epoxy-18R-HEPE
External Links
Pubchem CID	53477460
LIPID MAPS	LMFA03070026
ChEBI ID	132909
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)