Structure Database (LMSD)

Common Name
6,8-octadecadienoic acid
Systematic Name
6E,8E-octadecadienoic acid
Synonyms
  • C18:2n-12
LM ID
LMFA01030114
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
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]
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)
CNKMVAJDUBKHMS-AQASXUMVSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-13H,2-9,14-17H2,1H3,(H,19,20)/b11-10+,13-12+
SMILES (Click to copy)
C(CCCCCCCC)/C=C/C=C/CCCCC(=O)O

Other Databases

CHEBI ID
196530
LIPIDBANK ID
DFA0153
PubChem CID
5282792

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

Admin

Created at
-
Updated at
25th Apr 2022