RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0150240
RefMet name	5,12-DiHPETE
Systematic name	5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:4;O4	View other entries in RefMet with this sum composition
Exact mass	368.219890 (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	C20H32O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2656 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H32O6/c1-2-3-4-5-6-9-13-18(25-23)14-10-7-8-11-15-19(26-24)16-12-17-20(21)22/h6-11,14-15,18-19,23-24H,2-5,12-13,16-17H2 ,1H3,(H,21,22)/b8-7+,9-6-,14-10+,15-11+
InChIKey	FZVYTGLHRWEILG-LKCSHLNLSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCC/C=C\CC(/C=C/C=C/C=C/C(CCCC(=O)O)OO)OO Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	HETE
Distribution of 5,12-DiHPETE 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 5,12-DiHPETE
External Links
Pubchem CID	5283179
LIPID MAPS	LMFA03060046
ChEBI ID	165281
Structural annotation level
Annotation level	2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)