Structure Database (LMSD)

Common Name
3E,9Z,12Z,15Z-octadecatetraenoic acid
Systematic Name
3E,9Z,12Z,15Z-octadecatetraenoic acid
Synonyms
  • trans-3, cis-9, cis-12, cis-15-octadecatetraenoic acid
  • C18:4n-3,6,9,15
LM ID
LMFA01030167
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

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)
JNIPNHCEUZIVID-BPJKAVOUSA-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/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,16-15+
SMILES (Click to copy)
C(CCC/C=C/CC(=O)O)/C=C\C/C=C\C/C=C\CC

Other Databases

LIPIDBANK ID
DFA0206
PubChem CID
5282835
PlantFA ID
10377

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

Admin

Created at
-
Updated at
25th Apr 2022