Structure Database (LMSD)

O OH
Common Name
10Z,12E-hexadecadienoic acid
Systematic Name
10Z,12E-hexadecadienoic acid
Synonyms
  • C16:2n-4,6
LM ID
LMFA01030268
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
FA 16:2
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]

String Representations

InChiKey (Click to copy)
POHNQQRJOMLPNT-DEQVHDEQSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-7H,2-3,8-15H2,1H3,(H,17,18)/b5-4+,7-6-
SMILES (Click to copy)
C(CCCCCCCC/C=C\C=C\CCC)(=O)O

References

Other Databases

LIPIDAT ID
4291
CHEBI ID
186837
PubChem CID
5312420

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.10
Molar Refractivity 77.76

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022