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Chemical structure of 9-Oxo-10,12-octadecadienoic acid

GC42651

9-Oxo-10,12-octadecadienoic acid

Also listed as 9-oxo-10(E),12(E)-Octadecadienoic Acid

9-oxo-10(E),12(E)-Octadecadienoic acid (9-oxoODA) is a natural agonist, abundant in tomatoes, that activates PPARα at 10-20 μM

ChemicalCAS54232-58-5MW294.4FormulaC18H30O3
CAS number
54232-58-5
Molecular weight
294.4
Formula
C18H30O3
Solubility
DMF: 16 mg/ml,DMSO: 16 mg/ml,Ethanol: 25 mg/ml,Ethanol:PBS(pH 7·2) (1:1): 0·5 mg/ml
InChIKey
LUZSWWYKKLTDHU-SIGMCMEVSA-N
Catalogue number
GC42651
Brand
GLPBIO
Computed properties PubChem CID 5283011 · XLogP 5.2 · TPSA 54.4 Ų · H-bond donors 1
XLogP
5.2
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
21

SMILES CCCCC/C=C/C=C/C(=O)CCCCCCCC(=O)O

Computed descriptors from PubChem (CID 5283011), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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