RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0140098
RefMet name	Resolvin E2
Systematic name	5S,18R-dihydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
Synonyms	PubChem Synonyms
Exact mass	334.214410 (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	C20H30O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2727 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H 3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1
InChIKey	KPRHYAOSTOHNQA-NNQKPOSRSA-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\[C@H](CCCC(=O)O)O)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 Resolvin E2 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Resolvin E2
External Links
Pubchem CID	16061125
LIPID MAPS	LMFA03140011
ChEBI ID	81560
KEGG ID	C18173
HMDB ID	HMDB0257163
MetaCyc ID	CPD66-58
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)