Structure Database (LMSD)

Common Name
7S-hydroxy-octanoic acid
Systematic Name
7S-hydroxy-octanoic acid
Synonyms
  • Octanoic acid, 7-hydroxy-, (S)-
LM ID
LMFA01050317
Formula
C8H16O3
Exact Mass
Calculate m/z
160.109945
Sum Composition
FA 8:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
OFCMTSZRXXFMBQ-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
SMILES (Click to copy)
C(CCCCC[C@@H](O)C)(=O)O

References

Other Databases

LIPIDAT ID
4884
HMDB ID
HMDB00486
CHEBI ID
180041
PubChem CID
5312864

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.69
Molar Refractivity 42.91

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Updated at
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