Marvin  05080815272D          

 10  9  0  0  1  0            999 V2000
   12.6085   -9.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7519   -8.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7519   -9.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4664   -9.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3230   -9.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3230   -8.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6249  -10.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0374   -9.8259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4499  -10.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2468  -10.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  5  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:27681

> <NAME>
(S)-2-acetyl-2-hydroxybutanoic acid

> <DEFINITION>
A 3-oxo monocarboxylic acid that is butanoic acid in which the hydrogens at position 2 are replaced by an acetyl and a hydroxy group (the S enantiomer).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:373; CHEBI:18730

> <SYNONYM>
(S)-2-acetyl-2-hydroxybutyric acid

> <IUPAC_NAME>
(2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid

> <FORMULA>
C6H10O4

> <MASS>
146.14120

> <MONOISOTOPIC_MASS>
146.05791

> <CHARGE>
0

> <SMILES>
CC[C@](O)(C(C)=O)C(O)=O

> <INCHI>
InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1

> <INCHIKEY>
VUQLHQFKACOHNZ-LURJTMIESA-N

> <KEGG_COMPOUND_ACCESSION>
C06006

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