Structure Database (LMSD)

Common Name
2E,4E,6E,12E-Tetradecatetraene-8,10-diynoic acid
Systematic Name
2E,4E,6E,12E-Tetradecatetraene-8,10-diynoic acid
Synonyms
  • 2,4,6,12-Tetradecatetraene-8,10-diynoic acid, (E,E,E,E)-
LM ID
LMFA01031086
Formula
C14H12O2
Exact Mass
Calculate m/z
212.08373
Sum Composition
FA 14:8
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

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Reactions graph legend

String Representations

InChiKey (Click to copy)
PTIKOWATZQTTGA-VJPDNLQHSA-N
InChi (Click to copy)
InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-13H,1H3,(H,15,16)/b3-2+,9-8+,11-10+,13-12+
SMILES (Click to copy)
C(/C=C/C=C/C=C/C#CC#C/C=C/C)(=O)O

Other Databases

CHEBI ID
193329
PubChem CID
101416021
PlantFA ID
10563

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 244.58
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.32
Molar Refractivity 65.42

Admin

Created at
-
Updated at
25th Apr 2022