RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153304
RefMet name	Palmitolinoleic acid
Alternative name	FA 16:2(9Z,12Z)
Systematic name	9Z,12Z-hexadecadienoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 16:2	View other entries in RefMet with this sum composition
Exact mass	252.208930 (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	C16H28O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	695 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4-,8-7-
InChIKey	RVEKLXYYCHAMDF-UTOQUPLUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCC/C=C\C/C=C\CCCCCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Unsaturated FA
Distribution of Palmitolinoleic 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 Palmitolinoleic acid
External Links
Pubchem CID	5312427
LIPID MAPS	LMFA01030275
ChEBI ID	77522
KEGG ID	C08362
HMDB ID	HMDB0247596
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)