Marvin  11090612282D          

  9  8  0  0  1  0            999 V2000
    1.1908    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.1833    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.1833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4763   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816   -0.1833    0.0000 C   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  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:32644

> <NAME>
methioninate

> <DEFINITION>
A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group.

> <STAR>
3

> <SYNONYM>
methionine anion; met(-); 2-amino-4-(methylsulfanyl)butanoate

> <IUPAC_NAME>
methioninate

> <FORMULA>
C5H10NO2S

> <MASS>
148.20444

> <MONOISOTOPIC_MASS>
148.04377

> <CHARGE>
-1

> <SMILES>
CSCCC(N)C([O-])=O

> <INCHI>
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1

> <INCHIKEY>
FFEARJCKVFRZRR-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3937270

> <GMELIN_REGISTRY_NUMBER>
326565

> <REAXYS_REGISTRY_NUMBER>
3937270

$$$$