Structure Database (LMSD)

Common Name
Coniferonic acid
Systematic Name
5Z,9Z,12Z,15Z-octadecatetraenoic acid
Synonyms
  • C18:4n-3,6,9,13
  • 18:4(5Z,9Z,12Z,15Z)
LM ID
LMFA01030355
Formula
C18H28O2
Exact Mass
Calculate m/z
276.20893
Sum Composition
FA 18:4
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]
Octadecanoids [FA02]

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)
DNOBNGNBPVOMLW-XRPCLMINSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,14-13-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
86135
PubChem CID
13751481
PlantFA ID
10121

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 324.34
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.44
Molar Refractivity 86.81

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Created at
-
Updated at
25th Apr 2022