Ketcher 11211915432D 1   1.00000     0.00000     0

 10  9  0     1  0            999 V2000
    2.5981   -0.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.2857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -1.2143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  8  2  0     0  0
  2  3  1  0     0  0
  3  9  1  1     0  0
  4 10  2  0     0  0
  3  5  1  0     0  0
  5  6  1  0     0  0
  4  6  1  0     0  0
  4  7  1  1     0  0
M  END
> <ID>
CHEBI:49032

> <NAME>
L-methionine (R)-S-oxide

> <DEFINITION>
The (R)-oxido diastereomer of L-methionine S-oxide.

> <STAR>
3

> <SYNONYM>
L-Methionine (R)-S-oxide

> <IUPAC_NAME>
(2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid

> <FORMULA>
C5H11NO3S

> <MASS>
165.210

> <MONOISOTOPIC_MASS>
165.04596

> <CHARGE>
0

> <SMILES>
OC(=O)[C@@H](N)CC[S@](=O)C

> <INCHI>
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1

> <INCHIKEY>
QEFRNWWLZKMPFJ-ZXPFJRLXSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6115068

> <KEGG_COMPOUND_ACCESSION>
C15998

> <PDBECHEM_ACCESSION>
SME

$$$$