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  0  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  END
> <ID>
CHEBI:33404

> <NAME>
3-hydroxypropionic acid

> <DEFINITION>
A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40000; CHEBI:1553; CHEBI:20071

> <SYNONYM>
Hydracrylic acid; beta-hydroxypropionic acid; 3-Hydroxypropionic acid; 3-Hydroxypropanoic acid; 3-HYDROXY-PROPANOIC ACID

> <IUPAC_NAME>
3-hydroxypropanoic acid

> <FORMULA>
C3H6O3

> <MASS>
90.07794

> <MONOISOTOPIC_MASS>
90.03169

> <CHARGE>
0

> <SMILES>
OCCC(O)=O

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

> <INCHIKEY>
ALRHLSYJTWAHJZ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
773806

> <CAS_REGISTRY_NUMBER>
503-66-2

> <GMELIN_REGISTRY_NUMBER>
26307

> <REAXYS_REGISTRY_NUMBER>
773806

> <CHEMIDPLUS>
503-66-2

> <DRUGBANK_ACCESSION>
DB03688

> <KEGG_COMPOUND_ACCESSION>
C01013

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050003

> <PDBECHEM_ACCESSION>
3OH

> <PUBMED_CITATION>
21723339; 23022570; 23192305; 23473969; 8155818

$$$$