RefMet Compound Details

RefMet ID	RM0153449
MW structure	4684 (View MW Metabolite Database details)
RefMet name	15-HETE-EA
Systematic name	N-(15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-ethanolamine
SMILES	CCCCCC(/C=C/C=CC/C=CC/C=CCCCC(=O)NCCO)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	363.277344 (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	C22H37NO3	View other entries in RefMet with this formula
InChI	InChI=1S/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,1 5-16,18-20H2,1H3,(H,23,26)/b5-4-,10-8-,11-9-,17-14+
InChIKey	XZQKRCUYLKDPEK-USWFWKISSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Fatty Acyls
Main Class	Fatty amides
Sub Class	NAE (N-acyl ethanolamines)
Pubchem CID	44256595
ChEBI ID	165580
Annotation level	2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)