Marvin  11090610522D          

  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  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.1833    0.0000 C   0  0  1  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  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
  9  8  1  0  0  0  0
M  END
> <ID>
CHEBI:16643

> <NAME>
L-methionine

> <DEFINITION>
The L-enantiomer of methionine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43990; CHEBI:6271; CHEBI:13141; CHEBI:21360

> <SYNONYM>
Methionine; Methionine; METHIONINE; Met; M; L-Methionine; L-Methionin; L-alpha-amino-gamma-methylmercaptobutyric acid; L-(-)-methionine; (S)-methionine; (S)-2-amino-4-(methylthio)butyric acid; (S)-2-amino-4-(methylthio)butanoic acid; (2S)-2-amino-4-(methylsulfanyl)butanoic acid

> <IUPAC_NAME>
L-methionine

> <FORMULA>
C5H11NO2S

> <MASS>
149.21238

> <MONOISOTOPIC_MASS>
149.05105

> <CHARGE>
0

> <SMILES>
CSCC[C@H](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)/t4-/m0/s1

> <INCHIKEY>
FFEARJCKVFRZRR-BYPYZUCNSA-N

> <CAS_REGISTRY_NUMBER>
63-68-3

> <GMELIN_REGISTRY_NUMBER>
26935

> <REAXYS_REGISTRY_NUMBER>
1722294

> <CHEMIDPLUS>
63-68-3

> <DRUGBANK_ACCESSION>
DB00134

> <ECMDB_ACCESSION>
ECMDB00696

> <KEGG_COMPOUND_ACCESSION>
C00073

> <KEGG_DRUG_ACCESSION>
D00019

> <KNAPSACK_ACCESSION>
C00001379

> <METACYC_ACCESSION>
MET

> <NIST_CHEMISTRY_WEBBOOK>
63-68-3

> <PDBECHEM_ACCESSION>
MET_LFOH

> <YMDB_ACCESSION>
YMDB00318

> <PUBMED_CITATION>
16575097; 21683740; 21946918; 22200379; 22370952; 22448874; 22517898; 24126240; 24939187; 5764336

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