Structure Database (LMSD)

Common Name
2,6-hexadecadiynoic acid
Systematic Name
2,6-hexadeca-diynoic acid
Synonyms
LM ID
LMFA01031134
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 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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
New advances in fatty acids as antimalarial, antimycobacterial and antifungal agents.,
Prog Lipid Res, 2008
Pubmed ID: 18023422

String Representations

InChiKey (Click to copy)
UWTVDTALXKUTPC-UHFFFAOYSA-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/h2-9,12-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C(C#CCCC#CCCCCCCCCC)(=O)O

Other Databases

PubChem CID
16076147

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 289.74
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.00
Molar Refractivity 75.03

Admin

Created at
-
Updated at
25th Apr 2022