Structure Database (LMSD)

Common Name
3E,5E-tridecadienoic acid
Systematic Name
3E,5E-tridecadienoic acid
Synonyms
  • C13:2n-8,10
LM ID
LMFA01030244
Formula
C13H22O2
Exact Mass
Calculate m/z
210.16198
Sum Composition
FA 13:2
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)
PTYZGNZCLHAQEB-BNFZFUHLSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,2-7,12H2,1H3,(H,14,15)/b9-8+,11-10+
SMILES (Click to copy)
C(C/C=C/C=C/CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
6581
CHEBI ID
73719
PubChem CID
5312396

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 243.12
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.93
Molar Refractivity 63.91

Admin

Created at
-
Updated at
25th Apr 2022