Structure Database (LMSD)

OH O OH
Common Name
8-hydroxy-11Z-octadecen-9-ynoic acid
Systematic Name
8-hydroxy-11Z-octadecen-9-ynoic acid
Synonyms
  • Acetylenic acids
  • 11-Octadecen-9-ynoic acid, 8-hydroxy-, (Z)-
LM ID
LMFA02000215
Formula
C18H30O3
Exact Mass
Calculate m/z
294.219495
Sum Composition
FA 18:3;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)
OTAWOAZBNLPFQR-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7-
SMILES (Click to copy)
C(CCCCCCC(O)C#C/C=C\CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4866
PubChem CID
5312855

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 335.77
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.59
Molar Refractivity 87.53

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Created at
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Updated at
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