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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 20:51:01 UTC
Update Date2021-09-24 20:51:01 UTC
HMDB IDHMDB0304885
Secondary Accession NumbersNone
Metabolite Identification
Common NameFluorodopa F 18
DescriptionFluorodopa F 18, also known as 6-fluoro-dopa or ((18)F)fdopa, belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on Fluorodopa F 18.
Structure
Thumb
Synonyms
Chemical FormulaC9H10FNO4
Average Molecular Weight214.183
Monoisotopic Molecular Weight214.061920473
IUPAC Name(2S)-2-amino-3-[2-(¹⁸F)fluoro-4,5-dihydroxyphenyl]propanoic acid
Traditional Name6-(18F)Fluoro-L-DOPA
CAS Registry NumberNot Available
SMILES
N[C@@H](CC1=CC(O)=C(O)C=C1[18F])C(O)=O
InChI Identifier
InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1/i10-1
InChI KeyPAXWQORCRCBOCU-RPDRGXCHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentTyrosine and derivatives
Alternative Parents
Substituents
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • 3-phenylpropanoic-acid
  • Alpha-amino acid
  • Amphetamine or derivatives
  • L-alpha-amino acid
  • Catechol
  • 4-halophenol
  • 3-halophenol
  • 3-fluorophenol
  • 4-fluorophenol
  • Aralkylamine
  • Fluorobenzene
  • Halobenzene
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Aryl halide
  • Monocyclic benzene moiety
  • Aryl fluoride
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organooxygen compound
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Primary amine
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Organohalogen compound
  • Organofluoride
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13848
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID50970
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFluorodopa
METLIN IDNot Available
PubChem Compound56494
PDB IDNot Available
ChEBI ID49166
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available