Marvin  12010509252D          

  6  5  0  0  0  0            999 V2000
    0.5954    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191   -0.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099   -0.3437    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5954    0.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480   -0.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  3  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:16510

> <NAME>
3-hydroxypropionate

> <DEFINITION>
A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxypropionic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20079; CHEBI:11836

> <SYNONYM>
beta-hydroxypropionate; 3-Hydroxypropionate; 3-hydroxypropanoate

> <IUPAC_NAME>
3-hydroxypropanoate

> <FORMULA>
C3H5O3

> <MASS>
89.07000

> <MONOISOTOPIC_MASS>
89.02442

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)/p-1

> <INCHIKEY>
ALRHLSYJTWAHJZ-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3903725

> <GMELIN_REGISTRY_NUMBER>
324424

> <REAXYS_REGISTRY_NUMBER>
3903725

> <KEGG_COMPOUND_ACCESSION>
C01013

$$$$