Structure Database (LMSD)

O OH
Common Name
6E,12E-octadecadienoic acid
Systematic Name
6E,12E-octadecadienoic acid
Synonyms
  • C18:2n-6,12
LM ID
LMFA01030329
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MPYXXVUQSWUMGN-GYIPPJPDSA-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/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,19,20)/b7-6+,13-12+
SMILES (Click to copy)
C(CCCC/C=C/CCCC/C=C/CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
5555
PubChem CID
5312480

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

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022