Structure Database (LMSD)

OH O
Common Name
7-dodecynoic acid
Systematic Name
7-dodecynoic acid
Synonyms
  • 7-Dodecynoic acid
LM ID
LMFA01030470
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
FA 12:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
PWFWYJYJCDMRTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-4,7-11H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CCCCCC#CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3436
PubChem CID
5312610

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 58.02

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

Admin

Created at
-
Updated at
25th Apr 2022