Structure Database (LMSD)

Common Name
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
Systematic Name
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
Synonyms
  • Acetylenic acids
LM ID
LMFA01030703
Formula
C16H20O2
Exact Mass
Calculate m/z
244.14633
Sum Composition
FA 16:6
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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
PQEDBXYGXRUDBS-BDPLZKCDSA-N
InChi (Click to copy)
InChI=1S/C16H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8-11H,12-15H2,1H3,(H,17,18)/b3-2+,5-4+,9-8+,11-10+
SMILES (Click to copy)
C(CCCC/C=C/C=C/C#C/C=C/C=C/C)(=O)O

Other Databases

LIPIDAT ID
4342
CHEBI ID
186726
PubChem CID
9543612

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 284.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.88
Molar Refractivity 76.11

Admin

Created at
-
Updated at
25th Apr 2022