Structure Database (LMSD)

Common Name
8-hydroxy-9,11-octadecadiynoic acid
Systematic Name
8-hydroxy-9,11-octadecadiynoic acid
Synonyms
  • 9,11-Octadecadiynoic acid, 8-hydroxy-
LM ID
LMFA02000193
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

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)
PAJZUMALTGAWTA-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,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC(O)C#CC#CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4805
CHEBI ID
165800
PubChem CID
5312836

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

Admin

Created at
-
Updated at
-