Structure Database (LMSD)

Common Name
10E,12E-tetradecadiene-4,6-diynoic acid
Systematic Name
10E,12E-tetradecadiene-4,6-diynoic acid
Synonyms
  • 10,12-Tetradecadiene-4,6-diynoic acid, (E,E)-
LM ID
LMFA01030583
Formula
C14H16O2
Exact Mass
Calculate m/z
216.11503
Sum Composition
FA 14:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

String Representations

InChiKey (Click to copy)
XVCXOPIQXLCWFY-MQQKCMAXSA-N
InChi (Click to copy)
InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-5H,6-7,12-13H2,1H3,(H,15,16)/b3-2+,5-4+
SMILES (Click to copy)
C(CCC#CC#CCC/C=C/C=C/C)(=O)O

Other Databases

LIPIDAT ID
6302
CHEBI ID
137793
PubChem CID
5312705

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 249.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.77
Molar Refractivity 65.61

Admin

Created at
-
Updated at
25th Apr 2022