Structure Database (LMSD)

Common Name
7-trans,9-cis-octadecadienoic acid
Systematic Name
7E,9Z-octadecadienoic acid
Synonyms
  • trans-7,cis-9-cctadecadienoate
  • C18:2n-9,11
LM ID
LMFA01030812
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)
HACBQSMIIGXKGA-XAZJVICWSA-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/h9-12H,2-8,13-17H2,1H3,(H,19,20)/b10-9-,12-11+
SMILES (Click to copy)
C(CCCCC/C=C/C=C\CCCCCCCC)(=O)O

Other Databases

CHEBI ID
196514
PubChem CID
46244426

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