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Chemical structure of 4-oxo Docosahexaenoic Acid

GC41530

4-oxo Docosahexaenoic Acid

Also known as (5E,7Z,10Z,13Z,16Z,19Z)-4-oxodocosa-5,7,10,13,16,19-hexaenoic acid

4-oxo Docosahexaenoic acid (4-oxo DHA) is a putative metabolite of DHA with antiproliferative and PPARγ agonist activity

ChemicalCAS845673-74-7MW342.5FormulaC22H30O3
CAS number
845673-74-7
Molecular weight
342.5
Formula
C22H30O3
Solubility
DMF: 50 mg/ml,DMSO: 50 mg/ml,Ethanol: 50 mg/ml,PBS (pH 7·2): 0·1 mg/ml
InChIKey
UHNUULCIKILOHW-PQVBWYSWSA-N
Catalogue number
GC41530
Brand
GLPBIO
Computed properties PubChem CID 24822699 · XLogP 5 · TPSA 54.4 Ų · H-bond donors 1
XLogP
5
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
25

SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)CCC(=O)O

Computed descriptors from PubChem (CID 24822699), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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