ChEBI
  Marvin  11170610552D          

  7  6  0  0  1  0            999 V2000
    6.4511   -3.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7353   -3.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0196   -3.5398    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3039   -3.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511   -2.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668   -3.9501    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0196   -2.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:37054

> <NAME>
3-hydroxybutyrate

> <DEFINITION>
A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
DL-3-hydroxybutyrate; beta-hydroxybutanoate; beta-hydroxy-n-butyrate; 3-OH-butyrate; 3-OH butyrate; 3-hydroxybutanoate

> <IUPAC_NAME>
3-hydroxybutanoate

> <FORMULA>
C4H7O3

> <MASS>
103.09658

> <MONOISOTOPIC_MASS>
103.04007

> <CHARGE>
-1

> <SMILES>
CC(O)CC([O-])=O

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

> <INCHIKEY>
WHBMMWSBFZVSSR-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
4127635

> <REAXYS_REGISTRY_NUMBER>
4127635

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