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Chemical structure of 13-OxoODE

GC41914

13-OxoODE

Also known as (9Z,11E)-13-oxooctadeca-9,11-dienoic acid

13-oxoODE is produced from 13-HODE by a NAD+-dependent dehydrogenase present in rat colonic mucosa

ChemicalCAS54739-30-9MW294.4FormulaC18H30O3
CAS number
54739-30-9
Molecular weight
294.4
Formula
C18H30O3
Solubility
50 mg/ml in DMF, 50 mg/ml in DMSO, 50 mg/ml in Ethanol
InChIKey
JHXAZBBVQSRKJR-BSZOFBHHSA-N
Catalogue number
GC41914
Brand
GLPBIO
Computed properties PubChem CID 6446027 · 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 CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O

Computed descriptors from PubChem (CID 6446027), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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