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C7H14O3
APtclcactv08052302123D 0   0.00000     0.00000
 
 24 23  0  0  0  0  0  0  0  0999 V2000
   -0.6532   -0.3752    0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070    0.5906    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    0.3174   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301   -0.6484    0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2818    0.9002    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.9255   -1.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492    1.1754   -0.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3271   -1.1891   -0.5811 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -0.6267    0.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    0.0339   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1098   -0.1475   -0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -0.1021    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6741   -0.6752    1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575   -1.2569   -0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    1.4722    0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.8905   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972    0.6173   -1.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806    1.1990    0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1225   -0.4805    1.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8092   -0.9483    1.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259   -1.5300   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2289    0.4068    0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1364    1.7294    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    1.2786   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
  8 12  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 10  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 12  1  0  0  0  0
 12 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
M  END
$$$$

MOL SMILES InChIKey

Chemistry
Reaction

Compound Description

An (omega-1)-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 6 is replaced by a hydroxy group.

Identification

Molecular Formula

C7H14O3

Mass

146.18430

Monoisotopic Mass

146.09429

Charge

InChI

InChI=1S/C7H14O3/c1-6(8)4-2-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)

InChIKey

UBIZMIFHVVCVEJ-UHFFFAOYSA-N

SMILES

CC(O)CCCCC(O)=O

Synonyms

6-hydroxy-heptanoic acid

Species

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MTBLC78774: 6-hydroxyheptanoic acid

An (omega-1)-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 6 is replaced by a hydroxy group.

Identification

Species

Europe PubMed Central results

Connect to another EMBL location

MTBLC78774: 6-hydroxyheptanoic acid

An (omega-1)-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 6 is replaced by a hydroxy group.

Identification

Species

Europe PubMed Central results