Structure Database (LMSD)

Common Name
Tetradecan-7,9-diynoic acid
Systematic Name
Tetradecan-7,9-diynoic acid
Synonyms
LM ID
LMFA01031094
Formula
C14H20O2
Exact Mass
Calculate m/z
220.14633
Sum Composition
FA 14:4
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

String Representations

InChiKey (Click to copy)
UDDQRZKIDJCZJF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-4,9-13H2,1H3,(H,15,16)
SMILES (Click to copy)
C(CCCCCC#CC#CCCCC)(=O)O

Other Databases

CHEBI ID
173200
PubChem CID
14309406
PlantFA ID
10493

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 255.14
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 65.8

Admin

Created at
-
Updated at
25th Apr 2022