RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153571
RefMet name	Palmitic acid
Alternative name	FA 16:0
Systematic name	hexadecanoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 16:0	View other entries in RefMet with this sum composition
Exact mass	256.240230 (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	C16H32O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	23 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey	IPCSVZSSVZVIGE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCCCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Saturated FA
Distribution of Palmitic 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 Palmitic acid
External Links
Pubchem CID	985
LIPID MAPS	LMFA01010001
ChEBI ID	15756
KEGG ID	C00249
HMDB ID	HMDB0000220
Chemspider ID	960
MetaCyc ID	PALMITATE
EPA CompTox	DTXCID101602
Spectral data for Palmitic acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Palmitic acid

Rxn ID	KEGG Reaction	Enzyme
R01274	Palmitoyl-CoA + H2O <=> CoA + Hexadecanoic acid	palmitoyl-CoA hydrolase
R01280	ATP + Hexadecanoic acid + CoA <=> AMP + Palmitoyl-CoA + Diphosphate	Palmitate:CoA ligase (AMP-forming)
R01706	Hexadecanoyl-[acp] + H2O <=> Acyl-carrier protein + Hexadecanoic acid	hexadecanoyl-[acyl-carrier protein] hydrolase

Table of KEGG human pathways containing Palmitic acid

Pathway ID	Human Pathway	# of reactions
hsa01212	Fatty acid metabolism	3
hsa00061	Fatty acid biosynthesis	2
hsa00062	Fatty acid elongation	1
hsa00071	Fatty acid degradation	1
hsa01040	Biosynthesis of unsaturated fatty acids	1