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Chemical structure of 17-oxo-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid

GC41529

17-oxo-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid

Also known as (4Z,7Z,10Z,13E,15Z,19Z)-17-oxodocosa-4,7,10,13,15,19-hexaenoic acid

17-oxo-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic acid is a metabolite of lipoxygenase-mediated oxidation of DHA that is produced endogenously by aspirin-enhanced COX-2 activity

ChemicalCAS1233715-28-0MW342.5FormulaC22H30O3
CAS number
1233715-28-0
Molecular weight
342.5
Formula
C22H30O3
Solubility
DMF： 15 mg/ml,DMSO： 10 mg/ml,Ethanol： 20 mg/ml
InChIKey
QCEBQMMZCFADMF-SWDQBTSJSA-N
Catalogue number
GC41529
Brand
GLPBIO
Computed properties PubChem CID 52195784 · 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\CC(=O)/C=C\C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O

Computed descriptors from PubChem (CID 52195784), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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