ChEBI
  Marvin  05080813482D          

  8  7  0  0  0  0            999 V2000
   13.6270   -9.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6270  -10.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3415  -10.5503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9126  -10.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1981  -10.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4836  -10.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7692  -10.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0547  -10.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:16230

> <NAME>
5-hydroxypentanoate

> <DEFINITION>
A hydroxy monocarboxylic acid anion that is the conjugate base of 5-hydroxypentanoic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2080; CHEBI:12140; CHEBI:20592

> <SYNONYM>
5-hydroxyvalerate; 5-hydroxypentanoate; 5-Hydroxypentanoate

> <IUPAC_NAME>
5-hydroxypentanoate

> <FORMULA>
C5H9O3

> <MASS>
117.12316

> <MONOISOTOPIC_MASS>
117.05572

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)/p-1

> <INCHIKEY>
PHOJOSOUIAQEDH-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
3661453

> <KEGG_COMPOUND_ACCESSION>
C02804

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