Structure Database (LMSD)

Common Name
5E-dodecenoic acid
Systematic Name
5E-dodecenoic acid
Synonyms
  • C12:1n-7
LM ID
LMFA01030225
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Sum Composition
FA 12:1
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)
IJBFSOLHRKELLR-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+
SMILES (Click to copy)
C(CCC/C=C/CCCCCC)(=O)O

Other Databases

LIPIDAT ID
3368
HMDB ID
HMDB00529
CHEBI ID
196466
PubChem CID
5312377

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.77
Molar Refractivity 59.39

Admin

Created at
-
Updated at
25th Apr 2022