Structure Database (LMSD)

Common Name
2Z,6Z,8Z,12E-hexadecatetraenoic acid
Systematic Name
2Z,6Z,8Z,12E-hexadecatetraenoic acid
Synonyms
  • C16:4n-4,8,10,14
LM ID
LMFA01030279
Formula
C16H24O2
Exact Mass
Calculate m/z
248.17763
Sum Composition
FA 16:4
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]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
RJEBRGXXVDPTCM-XGDNNFDWSA-N
InChi (Click to copy)
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,17,18)/b5-4+,9-8-,11-10-,15-14-
SMILES (Click to copy)
C(/C=C\CC/C=C\C=C/CC/C=C/CCC)(=O)O

Other Databases

LIPIDAT ID
4339
CHEBI ID
196491
PubChem CID
5312431

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 289.74
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.66
Molar Refractivity 77.57

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Created at
-
Updated at
25th Apr 2022