Marvin  06270614562D          

  9  8  0  0  0  0            999 V2000
   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    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
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0312    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
  5  4  1  0  0  0  0
  8  5  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <ID>
CHEBI:17869

> <NAME>
6-hydroxyhexanoic acid

> <DEFINITION>
An ω-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2191

> <SYNONYM>
epsilon-hydroxyhexanoic acid; epsilon-hydroxycaproic acid; 6-Hydroxyhexanoic acid; 6-Hydroxyhexanoate; 6-hydroxycaproic acid; 6-hydroxy caproic acid; 5-hydroxypentanecarboxylic acid; 5-carboxypentanol

> <IUPAC_NAME>
6-hydroxyhexanoic acid

> <FORMULA>
C6H12O3

> <MASS>
132.15768

> <MONOISOTOPIC_MASS>
132.07864

> <CHARGE>
0

> <SMILES>
OCCCCCC(O)=O

> <INCHI>
InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)

> <INCHIKEY>
IWHLYPDWHHPVAA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1236785

> <CAS_REGISTRY_NUMBER>
1191-25-9

> <REAXYS_REGISTRY_NUMBER>
1236785

> <CHEMIDPLUS>
1191-25-9

> <KEGG_COMPOUND_ACCESSION>
C06103

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050015

> <NIST_CHEMISTRY_WEBBOOK>
1191-25-9

> <PUBMED_CITATION>
14698179; 6630146

$$$$