MF3

2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID

Created: 1999-07-27
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of MF3
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Chemical Component Summary

Name2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID
SynonymsTRIFLUOROMETHIONINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-4-(trifluoromethylsulfanyl)butanoic acid
FormulaC5 H8 F3 N O2 S
Molecular Weight203.183
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04FC(F)(F)SCCC(N)C(=O)O
SMILESCACTVS3.341N[CH](CCSC(F)(F)F)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(CSC(F)(F)F)C(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CCSC(F)(F)F)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(CSC(F)(F)F)[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKeyInChI1.03 YLJLTSVBCXYTQK-VKHMYHEASA-N

Drug Info: DrugBank

DrugBank IDDB03799 
NameTrifluoromethionine
Groups experimental
SynonymsTrifluoromethionine
Categories
  • Amino Acids
  • Amino Acids, Neutral
  • Amino Acids, Peptides, and Proteins
  • Amino Acids, Sulfur
  • Sulfur Compounds

Drug Targets

NameTarget SequencePharmacological ActionActions
Methionine--tRNA ligaseMTQVAKKILVTCALPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFIC...unknown
Methionine aminopeptidaseMAISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIV...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 165196, 36690559
ChEBI CHEBI:43978