Structure Database (LMSD)

Common Name
2E,6Z-dodecadienoic acid
Systematic Name
2E,6Z-dodecadienoic acid
Synonyms
  • C12:2n-6,10
LM ID
LMFA01030231
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

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ⓘ 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.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
RFHKVLKBWQIQDY-JFEAUALZSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14)/b7-6-,11-10+
SMILES (Click to copy)
C(/C=C/CC/C=C\CCCCC)(=O)O

Other Databases

LIPIDAT ID
3266
CHEBI ID
37212
PubChem CID
5312383

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