
 methionine zwitterion

 20 19  0  0  0  0  0  0  0  0999 V2000
    0.6039    1.2862   -1.9546 C   0  0  0  0  0
    1.4507    2.3609   -0.7657 S   0  0  0  0  0
    3.0658    1.5003   -0.7291 C   0  0  0  0  0
    4.0564    2.2131    0.1995 C   0  0  0  0  0
    4.6497    3.5174   -0.3362 C   0  0  0  0  0
    5.4216    3.2894   -1.6681 C   0  0  0  0  0
    6.3384    2.4436   -1.6702 O   0  0  0  0  0
    4.9282    4.0385   -2.5746 O   0  0  0  0  0
    3.5690    4.5550   -0.5601 N   0  0  0  0  0
    3.6824    4.7213   -1.5938 H   0  0  0  0  0
    2.6154    4.1968   -0.4331 H   0  0  0  0  0
    3.7444    5.4493   -0.1063 H   0  0  0  0  0
   -0.3947    1.6862   -2.1500 H   0  0  0  0  0
    0.5017    0.2770   -1.5475 H   0  0  0  0  0
    1.1551    1.2517   -2.8977 H   0  0  0  0  0
    3.4602    1.4220   -1.7465 H   0  0  0  0  0
    2.8925    0.4865   -0.3535 H   0  0  0  0  0
    4.8848    1.5169    0.3859 H   0  0  0  0  0
    3.5945    2.3910    1.1792 H   0  0  0  0  0
    5.3343    3.9566    0.3970 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
M  CHG  2   8  -1   9   1
M  END

>  <Chemical Name>
methionine zwitterion

>  <PubChem CID>
5255805

>  <Formula>
C5H11NO2S

>  <Molecular Weight>
149.208000

>  <IUPAC Name>
2-azaniumyl-4-methylsulfanylbutanoate

>  <XlogP>
-1.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CSCCC(C(=O)[O-])[NH3+]

>  <Isomeric SMILES>
CSCCC(C(=O)[O-])[NH3+]

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

>  <InChI Key>
FFEARJCKVFRZRR-UHFFFAOYSA-N

