ChEBI
  Marvin  09140513492D          

  5  4  0  0  0  0            999 V2000
    5.5865   -3.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2877   -3.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865   -4.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -3.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502   -3.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:27957

> <NAME>
hydroxyacetone

> <DEFINITION>
A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24666; CHEBI:5796

> <SYNONYM>
Pyruvinalcohol; Pyruvic alcohol; Methylketol; hydroxyacetone; Hydroxyacetone; Acetone alcohol; Acetol; 2-ketopropyl alcohol; 2-Ketopropyl alcohol; 1-hydroxy-2-propanone; 1-Hydroxy-2-propanone

> <IUPAC_NAME>
1-hydroxypropan-2-one

> <FORMULA>
C3H6O2

> <MASS>
74.07854

> <MONOISOTOPIC_MASS>
74.03678

> <CHARGE>
0

> <SMILES>
CC(=O)CO

> <INCHI>
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

> <INCHIKEY>
XLSMFKSTNGKWQX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
116-09-6

> <REAXYS_REGISTRY_NUMBER>
605368

> <CHEMIDPLUS>
116-09-6

> <KEGG_COMPOUND_ACCESSION>
C05235

> <KNAPSACK_ACCESSION>
C00019558

> <METACYC_ACCESSION>
ACETOL

> <PUBMED_CITATION>
23363738

$$$$