Structure Database (LMSD)

Common Name
7E,11E-tetradecadiene-5,9-diynoic acid
Systematic Name
7E,11E-tetradecadiene-5,9-diynoic acid
Synonyms
LM ID
LMFA01031235
Formula
C14H16O2
Exact Mass
Calculate m/z
216.11503
Sum Composition
FA 14:6
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Oceanapia (#2630446)
Demospongiae (#6042)
An antimicrobial C(14) acetylenic acid from a marine sponge Oceanapia species.,
J Nat Prod, 2000
Pubmed ID: 10843591

String Representations

InChiKey (Click to copy)
IHXAUHSVYVDJQO-DYWGDJMRSA-N
InChi (Click to copy)
InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,7-8H,2,11-13H2,1H3,(H,15,16)/b4-3+,8-7+
SMILES (Click to copy)
C(CCCC#C/C=C/C#C/C=C/CC)(=O)O

Other Databases

PubChem CID
10822604

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 249.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.77
Molar Refractivity 65.61

Admin

Created at
1st Dec 2020
Updated at
25th Apr 2022