Marvin  09160915482D          

  8  7  0  0  1  0            999 V2000
   10.1147   -7.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8296   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4031   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1112   -8.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5446   -7.3953    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    8.6882   -7.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3996   -6.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2561   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <ID>
CHEBI:9068

> <NAME>
Se-methylselenocysteine

> <DEFINITION>
An α-amino acid compound having methylselanylmethyl as the side-chain.

> <STAR>
3

> <SYNONYM>
Selenomethylselenocysteine; Selenohomocysteine; Selenium methyl cysteine; Se-Methylselenocysteine; Se-Methyl-selenocysteine; 3-(Methylseleno)alanine

> <IUPAC_NAME>
2-amino-3-methylselanylpropanoic acid

> <FORMULA>
C4H9NO2Se

> <MASS>
182.08000

> <MONOISOTOPIC_MASS>
182.97985

> <CHARGE>
0

> <SMILES>
C[Se]CC(N)C(O)=O

> <INCHI>
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

> <INCHIKEY>
XDSSPSLGNGIIHP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3930828

> <CAS_REGISTRY_NUMBER>
2574-71-2

> <CHEMIDPLUS>
2574-71-2

$$$$