Marvin  09010911152D          

  8  7  0  0  0  0            999 V2000
   -0.1787   -0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5362    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8903    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822   -1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -0.2062    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9628    0.2062    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  6  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:27812

> <NAME>
Se-methyl-L-selenocysteine

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9067; CHEBI:22076

> <SYNONYM>
Selenomethylselenocysteine; Selenohomocysteine; Selenium-methylselenocystine; Selenium methyl cysteine; Se-methylselenocysteine; Se-Methyl-selenocysteine; Se-methyl-seleno-L-cysteine; Se-Methyl-L-selenocysteine; Methylselenocysteine; methyl-L-selenocysteine; L-methylselenocysteine

> <IUPAC_NAME>
(2R)-2-amino-3-methylselanylpropanoic acid

> <FORMULA>
C4H9NO2Se

> <MASS>
182.08000

> <MONOISOTOPIC_MASS>
182.97985

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

> <INCHIKEY>
XDSSPSLGNGIIHP-VKHMYHEASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2636762

> <CAS_REGISTRY_NUMBER>
2574-71-2

> <CHEMIDPLUS>
26046-90-2

> <KEGG_COMPOUND_ACCESSION>
C05689

$$$$