Marvin  11161010392D          

  8  7  0  0  0  0            999 V2000
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <ID>
CHEBI:60647

> <NAME>
2-hydroxypentanoic acid

> <DEFINITION>
A 2-hydroxy monocarboxylic acid that is valeric (pentanoic) acid substituted at the α-position by a hydroxy group.

> <STAR>
3

> <SYNONYM>
alpha-hydroxyvaleric acid; alpha-hydroxy-n-valeric acid; 2-Hydroxyvaleric acid

> <IUPAC_NAME>
2-hydroxypentanoic acid

> <FORMULA>
C5H10O3

> <MASS>
118.13110

> <MONOISOTOPIC_MASS>
118.06299

> <CHARGE>
0

> <SMILES>
CCCC(O)C(O)=O

> <INCHI>
InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

> <INCHIKEY>
JRHWHSJDIILJAT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
617-31-2

> <REAXYS_REGISTRY_NUMBER>
1721166

> <CHEMIDPLUS>
617-31-2

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050007

> <PUBMED_CITATION>
17439666; 22770225

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