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Chemical structure of 4,5-dehydro Docosahexaenoic Acid

GC42324

4,5-dehydro Docosahexaenoic Acid

Also known as (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaen-4-ynoic acid

Docosahexaenoic acid (DHA; 22:6ω3) is one of the essential dietary ω-3 unsaturated fatty acids and the preferred n-3 fatty acid for development of the brain and retina

ChemicalCAS660429-97-0MW326.5FormulaC22H30O2
CAS number
660429-97-0
Molecular weight
326.5
Formula
C22H30O2
Solubility
0·1 M Na2CO3： 1·7 mg/ml,DMF： >100 mg/ml,DMSO： >100 mg/ml,Ethanol： Miscible
InChIKey
OXENLKNOBTVOJA-JLNKQSITSA-N
Catalogue number
GC42324
Brand
GLPBIO
Computed properties PubChem CID 11393246 · XLogP 5.9 · TPSA 37.3 Ų · H-bond donors 1
XLogP
5.9
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
12
Heavy atoms
24

SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CCCC(=O)O

Computed descriptors from PubChem (CID 11393246), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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