Chemical Component Summary

NameFLUOROTRYPTOPHANE
Identifiers(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
FormulaC11 H11 F N2 O2
Molecular Weight222.216
TypeL-PEPTIDE LINKING
Isomeric SMILESc1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N
InChIInChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKeyINPQIVHQSQUEAJ-VIFPVBQESA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count28
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03314 
Name5-fluorotryptophan
Groups experimental
Description5-fluorotryptophan can be used as substrate analogue to study enzyme mechanisms by NMR spectroscopy.
Synonyms
  • 5-fluorotryptophan
  • L-5-fluorotryptophan
  • 5-fluoro-L-tryptophan
  • Fluorotryptophane
Categories
  • Amino Acids
  • Amino Acids, Aromatic
  • Amino Acids, Cyclic
  • Amino Acids, Peptides, and Proteins
  • Carbon Radioisotopes
CAS number16626-02-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Triosephosphate isomeraseMAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNW...unknown
Glutathione S-transferase Mu 1MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6921698, 688357
ChEMBL CHEMBL559973