Structure Database (LMSD)

Common Name
2E,4E-dodecadienoic acid
Systematic Name
2E,4E-dodecadienoic acid
Synonyms
  • C12:2n-8,10
LM ID
LMFA01030230
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
FA 12:2
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)
HQSBWLQFLLMPKC-BNFZFUHLSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
SMILES (Click to copy)
C(/C=C/C=C/CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3263
CHEBI ID
165459
PubChem CID
5312382
PDB ID
MH9

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.54
Molar Refractivity 59.29

Admin

Created at
-
Updated at
25th Apr 2022