Mrv0541 10281316042D          

 10  9  0  0  0  0            999 V2000
   12.7178   -0.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034   -1.2638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4322   -1.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7178   -0.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034   -2.0888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2889   -0.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5744   -1.2638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2889   -0.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5744   -0.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034   -0.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  ISO  4   7   2   8   2   9   2  10   2
M  END
> <ID>
CHEBI:76050

> <NAME>
L-alanine-2,3,3,3-d4

> <DEFINITION>
A deuterated compound that is L-alanine in which the α-hydrogen and the three methyl hydrogens are replaced by deuterium.

> <STAR>
3

> <SYNONYM>
L-alanine-d4; 2,3,3,3-tetradeuterioL-alanine

> <IUPAC_NAME>
L-(2,3,3,3-(2)H4)alanine

> <FORMULA>
C3H3D4NO2

> <MASS>
93.118

> <MONOISOTOPIC_MASS>
93.07279

> <CHARGE>
0

> <SMILES>
[2H]C([2H])([2H])[C@]([2H])(N)C(O)=O

> <INCHI>
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3,2D

> <INCHIKEY>
QNAYBMKLOCPYGJ-IALWIIEESA-N

> <REAXYS_REGISTRY_NUMBER>
11056411

$$$$