RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0152791
RefMet name	Lauryl myristoleate
Systematic name	dodecanyl 9Z-tetradecenoate
Synonyms	PubChem Synonyms
Sum Composition	FA 26:1	View other entries in RefMet with this sum composition
Exact mass	394.381080 (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	C26H50O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	3733 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C26H50O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26(27)28-25-23-21-19-17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-25H2,1-2H3/b11-9-
InChIKey	BNVVXPRRISYSOG-LUAWRHEFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC 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 Lauryl myristoleate 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 Lauryl myristoleate
External Links
Pubchem CID	56935921
LIPID MAPS	LMFA07010088
ChEBI ID	165654
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)