Marvin  07171209482D          

 12 11  0  0  1  0            999 V2000
   12.1022   -4.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1022   -5.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8166   -6.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3877   -6.1702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3877   -6.9952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6732   -5.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9589   -6.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2444   -5.7577    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5299   -6.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8155   -5.7577    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424   -6.8847    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1174   -6.8847    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <ID>
CHEBI:43978

> <NAME>
trifluoro-L-methionine

> <DEFINITION>
An L-α-amino acid, methionine, with the S-methyl group trifluoro-substituted.

> <STAR>
3

> <SYNONYM>
trifluoromethionine; 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID

> <IUPAC_NAME>
trifluoro-L-methionine

> <FORMULA>
C5H8F3NO2S

> <MASS>
203.18300

> <MONOISOTOPIC_MASS>
203.02278

> <CHARGE>
0

> <SMILES>
N[C@@H](CCSC(F)(F)F)C(O)=O

> <INCHI>
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

> <INCHIKEY>
YLJLTSVBCXYTQK-VKHMYHEASA-N

> <REAXYS_REGISTRY_NUMBER>
6967050

> <DRUGBANK_ACCESSION>
DB03799

> <PDBECHEM_ACCESSION>
MF3

> <PUBMED_CITATION>
11353620; 19910163; 21676903; 22110087

$$$$