RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160420
RefMet name	9-oxo-12(13)-EpOME
Alternative name	12(13)Ep-9-KODE
Systematic name	9-oxo-12,13-epoxy-10-octadecenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 18:3;O2	View other entries in RefMet with this sum composition
Exact mass	310.214410 (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	C18H30O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2283 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
InChIKey	RCMABBHQYMBYKV-BUHFOSPRSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCC1C(/C=C/C(=O)CCCCCCCC(=O)O)O1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Octadecanoids
Sub Class	EpODE
Distribution of 9-oxo-12(13)-EpOME 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 9-oxo-12(13)-EpOME
External Links
Pubchem CID	5283007
LIPID MAPS	LMFA02000247
ChEBI ID	89606
HMDB ID	HMDB0013623
Chemspider ID	4446134
Structural annotation level
Annotation level	2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)