Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1721
Common Name:	16-fluoro-hexadecanoic acid
Systematic Name:	16-fluoro-hexadecanoic acid
RefMet Name:	16-Fluoro-hexadecanoic acid
Synonyms:	Hexadecanoic acid, 16-fluoro-; 16-Fluoropalmitic acid [PubChem Synonyms]
Exact Mass:	274.2308 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C16H31FO2
InChIKey:	PNNLLDRVJFDXNL-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Halogenated fatty acids [FA0109]
SMILES:	C(CCCCCCCC(=O)O)CCCCCCCF
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	151081
LIPID MAPS ID:	LMFA01090034
CHEBI ID:	34164
KEGG ID:	C13948
Plant Metabolite Hub(Pmhub):	MS000023477

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y