Structure Database (LMSD)
Common Name
9Z-traumatiin
Systematic Name
12-oxo-9Z-dodecenoic acid
Synonyms
3D model of 9Z-traumatiin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
12-oxo-9(Z)-Dodecenoic acid is an ω-oxoacid and a metabolite of the ω-6 PUFA linoleic acid and the ω-3 PUFA α-linolenic acid .1 It is formed from these PUFAs via lipoxygenase-produced 13-hydroperoxy intermediates by hydroperoxide lyase in plants. 12-oxo-9(Z)-Dodecenoic acid (100 µM) is active against the plant pathogenic oomycete P. parasitica.2
This information has been provided by Cayman Chemical
References
2. Vick, B.A., and Zimmerman, D.C. Oxidative systems for modification of fatty acids: The lipoxygenase pathway. The biochemistry of plants: A comprehensive treatise 9, 53-90 (1987).
References
String Representations
InChiKey (Click to copy)
KIHXTOVLSZRTHJ-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
234.61
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.95
Molar Refractivity
59.78
Admin
Created at
-
Updated at
2nd Jan 2025