RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153260
RefMet name	Lesquerolic acid
Alternative name	FA 20:1;O
Systematic name	14-hydroxy-11Z-eicosenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:1;O	View other entries in RefMet with this sum composition
Exact mass	326.282095 (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	C20H38O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	1350 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14- 11-
InChIKey	OONXYOAWMIVMCI-KAMYIIQDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCC(C/C=C\CCCCCCCCCC(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Lesquerolic acid 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 Lesquerolic acid
External Links
Pubchem CID	5282951
LIPID MAPS	LMFA01050117
ChEBI ID	165421
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)