10-[3-(Octa-2,5-dien-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

Base Information

• Chemical Name: 10-[3-(Octa-2,5-dien-1-yl)oxiran-2-yl]deca-5,8-dienoic acid
• CAS No.: 504435-15-8
• Molecular Formula: C20H30O3
• Molecular Weight: 318.45
• DSSTox Substance ID: DTXSID80693979
• Mol file: 504435-15-8.mol

Synonyms:DTXSID80693979;504435-15-8;11,12-epoxy-eicosa-5,8,14,17-tetraenoic acid;10-[3-(Octa-2,5-dien-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

Chemical Property of 10-[3-(Octa-2,5-dien-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

Chemical Property:

• PSA: 49.83000
• LogP: 5.20390
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 318.21949481
• Heavy Atom Count: 23
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

(±)11(12)-EpETE ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CCC1C(O1)CC=CCC=CCCCC(=O)O
• Uses: Eicosapentaenoic acid (EPA; ) is converted to epoxyeicosatetraenoic acids (EpETE) by several cytochrome P450 isoforms. The major product of this epoxygenase pathway, (±)17(18)-EpETE , relaxes vascular and airway smooth muscle by binding large conductance Ca2+-activated K+ (BKCa) channels by directly interacting with BKα channel subunits. (±)11(12)-EpETE is an epoxygenase pathway product produced from EPA by CYP450 both in vitro and in vivo. The biological actions and physiological effects of this epoxide remain to be determined.[Cayman Chemical]