134
  Mrv0541 02231214282D          

  9  8  0  0  1  0            999 V2000
    2.3642   -1.4436    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    1.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3642   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  2  0  0  0  0
  6  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00134

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
L-Methionine

> <SYNONYMS>
(S)-2-amino-4-(methylthio)butanoic acid; (S)-2-amino-4-(methylthio)butyric acid; (S)-methionine; L-(-)-Methionine; L-a-Amino-g-methylthiobutyric acid; Methionine

> <BRANDS>
Acimethin; Cymethion

> <CHEMICAL_FORMULA>
C5H11NO2S

> <MOLECULAR_WEIGHT>
149.211

> <EXACT_MASS>
149.051049291

> <IUPAC_NAME>
(2S)-2-amino-4-(methylsulfanyl)butanoic acid

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

> <INCHI_KEY>
InChIKey=FFEARJCKVFRZRR-BYPYZUCNSA-N

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

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
2

> <ALOGPS_LOGP>
-1.9

> <JCHEM_LOGP>
-2.2

> <ALOGPS_LOGS>
-0.8

> <JCHEM_POLARIZABILITY>
15.5

> <JCHEM_POLAR_SURFACE_AREA>
63.32

> <JCHEM_REFRACTIVITY>
37.59

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <ALOGPS_SOLUBILITY>
2.39e+01 g/l

$$$$