Structure Database (LMSD)

OH O OH
Common Name
(-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid
Systematic Name
(-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid
Synonyms
  • Acetylenic acids
  • 11,17-Octadecadien-9-ynoic acid, 8-hydroxy-, (E)-(-)-
LM ID
LMFA02000191
Formula
C18H28O3
Exact Mass
Calculate m/z
292.203845
Sum Composition
FA 18:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
KICRKYKTMPUVKC-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,7-8,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)/b8-7+
SMILES (Click to copy)
C(CCCCCCC(O)C#C/C=C/CCCCC=C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pyrularia pubera (#3960)
Magnoliopsida (#3398)
Acetylenic fatty acids of Pyrularia pubera seed oil,
J. Chem. Soc. C, 1968

Other Databases

LIPIDAT ID
4803
CHEBI ID
183626
PubChem CID
5312834

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 333.13
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.36
Molar Refractivity 87.44

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Updated at
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