Structure Database (LMSD)

Common Name
6E,8E,14E-Hexadecatriene-10,12-diynoic acid
Systematic Name
6E,8E,14E-Hexadecatriene-10,12-diynoic acid
Synonyms
LM ID
LMFA01030704
Formula
C16H18O2
Exact Mass
Calculate m/z
242.13068
Sum Composition
FA 16:7
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)
QRMUVFBZROTBPM-MMOYHAHMSA-N
InChi (Click to copy)
InChI=1S/C16H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,8-11H,12-15H2,1H3,(H,17,18)/b3-2+,9-8+,11-10+
SMILES (Click to copy)
C(CCCC/C=C/C=C/C#CC#C/C=C/C)(=O)O

Other Databases

LIPIDAT ID
4344
CHEBI ID
187414
PubChem CID
9543613

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 281.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.33
Molar Refractivity 74.75

Admin

Created at
-
Updated at
25th Apr 2022