Structure Database (LMSD)

Common Name
3Z,6Z,9Z-Octadecatrienoic acid
Systematic Name
3Z,6Z,9Z-Octadecatrienoic acid
Synonyms
  • 3,6,9-Octadecatrienoic acid, (3Z,6Z,9Z)-
  • 3,6,9-Octadecatrienoic acid, (Z,Z,Z)-
  • Z,Z,Z-3,6,9-Octadecatrienoic acid
  • Octadeca-3c,6c,9c-trienoic acid
LM ID
LMFA02000319
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
NTKHCYPTISBJFG-YOILPLPUSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3,(H,19,20)/b10-9-,13-12-,16-15-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\CCCCCCCC)(=O)O

Other Databases

PubChem CID
15737439
PlantFA ID
10528

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.9

Admin

Created at
-
Updated at
-