Structure Database (LMSD)

OH O OH
Common Name
8-hydroxy-10,12-octadecadiynoic acid
Systematic Name
8-hydroxy-10,12-octadecadiynoic acid
Synonyms
  • 10,12-Octadecadiynoic acid, 8-hydroxy-
LM ID
LMFA02000194
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)
BEXXCDTWFLMRDJ-UHFFFAOYSA-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/h17,19H,2-5,9-10,12-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC(O)CC#CC#CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4806
PubChem CID
5312837
PlantFA ID
10441

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 333.13
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.04
Molar Refractivity 86.17

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Created at
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Updated at
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