Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	57239
Common Name:	6-fluoro-L-dopa
Systematic Name:	(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;6-fluoro-L-dopa
Synonyms:	2-fluoro-5-hydroxy-L-tyrosine; 2-fluoro-5-hydroxytyrosine; 3,4-dihydroxy-6-fluorophenylalanine; 6-fluoro-3,4-dihydroxy-L-phenylalanine; 6-fluoro-dopa [PubChem Synonyms]
Exact Mass:	215.0594 (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:	C9H10FNO4
InChIKey:	PAXWQORCRCBOCU-LURJTMIESA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	Tyrosine and derivatives [C0004319]
SMILES:	C(c1cc(c(cc1F)O)O)[C@@H](C(=O)O)N
Studies:	-

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PubChem CID:	107730
CHEBI ID:	49163

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