Mrv0541 06241416502D          

  9  8  0  0  1  0            999 V2000
   17.8063  -24.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5196  -25.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8051  -25.2225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0906  -25.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2325  -25.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9482  -25.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6638  -25.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6638  -24.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3771  -25.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  1  1  1  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <ID>
CHEBI:78842

> <NAME>
(5R)-5-hydroxyhexanoic acid

> <DEFINITION>
An (ω−1)-hydroxy fatty acid that is caproic acid in which the 5-pro-R hydrogen is replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
(R)-(-)-5-hydroxyhexanoic acid; (5R)-5-hydroxycaproic acid; (-)-5-hydroxyhexanoic acid; (-)-5-hydroxycaproic acid

> <FORMULA>
C6H12O3

> <MASS>
132.15770

> <MONOISOTOPIC_MASS>
132.07864

> <CHARGE>
0

> <SMILES>
C[C@@H](O)CCCC(O)=O

> <INCHI>
InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1

> <INCHIKEY>
YDCRNMJQROAWFT-RXMQYKEDSA-N

> <REAXYS_REGISTRY_NUMBER>
6130741

$$$$