RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153840
RefMet name	Myristoleyl arachidate
Systematic name	9Z-tetradecenyl eicosanoate
Synonyms	PubChem Synonyms
Sum Composition	FA 34:1	View other entries in RefMet with this sum composition
Exact mass	506.506280 (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	C34H66O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	3776 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10,12H,3-9, 11,13-33H2,1-2H3/b12-10-
InChIKey	NGFWMWUDSHTEQU-BENRWUELSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty esters
Sub Class	Wax monoesters
Distribution of Myristoleyl arachidate 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 Myristoleyl arachidate
External Links
Pubchem CID	56935949
LIPID MAPS	LMFA07010131
ChEBI ID	165680
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)