Structure Database (LMSD)

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
Curated
Show lipids differing only in stereochemistry/bond geometry

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]

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

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

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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