Structure Database (LMSD)

Common Name
Ajenoic acid
Systematic Name
Doodeca-3Z,5Z,7Z,9Z,11-pentaenoic acid
Synonyms
  • (3Z,5Z,-7Z,-9Z)-dodeca-3,5,7,9,11-pentaenoic acid
LM ID
LMFA01031028
Formula
C12H14O2
Exact Mass
Calculate m/z
190.09938
Sum Composition
FA 12:5
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)
JSPNCMDQJNUPED-WKSFOPBCSA-N
InChi (Click to copy)
InChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3-,6-5-,8-7-,10-9-
SMILES (Click to copy)
C(C/C=C\C=C/C=C\C=C/C=C)(=O)O

Other Databases

CHEBI ID
187499
PubChem CID
131839742

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 217.9
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.87
Molar Refractivity 59.01

Admin

Created at
-
Updated at
25th Apr 2022