Ketcher 07061812252D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   18.4623  -14.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3292  -14.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5951  -14.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4580  -15.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1964  -14.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3251  -13.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7330  -14.9920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:141211

> <NAME>
(R)-3-hydroxyisobutyrate

> <DEFINITION>
The anion formed by loss of a proton from the carboxy group of (R)-3-hydroxyisobutyric acid; major microspecies at pH 7.3.

> <STAR>
2

> <SYNONYM>
(R)-3-hydroxy-2-methylpropionate; (R)-3-hydroxy-2-methylpropanoate; (2R)-3-hydroxy-2-methylpropanoate

> <FORMULA>
C4H7O3

> <MASS>
103.097

> <MONOISOTOPIC_MASS>
103.04007

> <CHARGE>
-1

> <SMILES>
[C@H](C([O-])=O)(CO)C

> <INCHI>
InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m1/s1

> <INCHIKEY>
DBXBTMSZEOQQDU-GSVOUGTGSA-M

> <METACYC_ACCESSION>
CPD-12176

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