17-Hydroxy-4,7,10,13,15,19-docosahexaenoic acid
[CAS# 90780-52-2]

Identification

• Name: 17-Hydroxy-4,7,10,13,15,19-docosahexaenoic acid
• Synonyms: (+/-)-17-Hdohe; (+/-)-17-Hydroxy-4Z,7Z,10Z,13Z,15E,19Z-Docosahexaenoic Acid; Lmfa04000032
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 90780-52-2
• SMILES: C(C(=O)O)C\C=C/C/C=C\C\C=C/C/C=C\C=C\C(C\C=C/CC)O
• InChI: 1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
• InChIKey: SWTYBBUBEPPYCX-VIIQGJSXSA-N

Properties

• Density: 0.996g/cm³ (Cal.)
• Boiling point: 505.091°C at 760 mmHg (Cal.)
• Flash point: 273.361°C (Cal.)

References

• (1): Groeger et al.. Cyclooxygenase-2 generates anti-inflammatory mediators from omega-3 fatty acids, Nature Chemical Biology, 2010