Structure Database (LMSD)

Common Name
7Z,11Z-octadecadienoic acid
Systematic Name
7Z,11Z-octadecadienoic acid
Synonyms
  • C18:2n-7,11
LM ID
LMFA01030335
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

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Reactions graph legend

String Representations

InChiKey (Click to copy)
GCADTFSRGKGSJO-MQEUWQHPSA-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/h7-8,11-12H,2-6,9-10,13-17H2,1H3,(H,19,20)/b8-7-,12-11-
SMILES (Click to copy)
C(CCCCC/C=C\CC/C=C\CCCCCC)(=O)O

Other Databases

LIPIDAT ID
5557
CHEBI ID
196560
PubChem CID
5312486

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