Ketcher 06112419442D 1   1.00000     0.00000     0

  9  8  0     1  0            999 V2000
   -1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  6  8  1  0     0  0
  5  9  1  1     0  0
M  ISO  6   1  13   2  13   3  13   4  13   5  13   6  13
M  END
> <ID>
CHEBI:231578

> <NAME>
L-leucine-13C6

> <STAR>
2

> <IUPAC_NAME>
(2S)-2-amino-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acid

> <FORMULA>
[13C]6H13NO2

> <MASS>
137.129

> <MONOISOTOPIC_MASS>
137.11476

> <CHARGE>
0

> <SMILES>
[13CH3][13CH]([13CH3])[13CH2][13C@@H]([13C](=O)O)N

> <INCHI>
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1

> <INCHIKEY>
ROHFNLRQFUQHCH-IQUPZBQQSA-N

$$$$