Structure Database (LMSD)

Common Name
5E-Tetradecenoic acid
Systematic Name
5E-Tetradecenoic acid
Synonyms
LM ID
LMFA01030913
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
FA 14:1
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)
AFGUVBVUFZMJMX-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9+
SMILES (Click to copy)
C(CCC/C=C/CCCCCCCC)(=O)O

Other Databases

HMDB ID
HMDB0000499
CHEBI ID
89393
PubChem CID
5282740

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.55
Molar Refractivity 68.62

Admin

Created at
-
Updated at
25th Apr 2022