Structure Database (LMSD)

Common Name
3Z,6Z,9Z,12Z-Octadecatetraenoic acid
Systematic Name
3Z,6Z,9Z,12Z-Octadecatetraenoic acid
Synonyms
  • 3,6,9,12-Octadecatetraenoic acid, (3Z,6Z,9Z,12Z)-
  • 3,6,9,12-Octadecatetraenoic acid, (all-Z)-
  • Dihomo-gamma-linoleinic acid
LM ID
LMFA02000323
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]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
WIGBMAOBGOCVRT-DOFZRALJSA-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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
14475429
PlantFA ID
10120

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 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.44
Molar Refractivity 86.81

Admin

Created at
-
Updated at
-