1,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

• ChemBase ID: 178880
• Molecular Formular: C63H98O6
• Molecular Mass: 951.44862
• Monoisotopic Mass: 950.73634086
• SMILES: C(=O)(OC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,60H,4-15,22-24,31-33,40-42,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
• InChIKey: HYVJNYYVNIYMDK-QSEXIABDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
• IUPAC Traditional name: triglyceride
• Synonyms: (5Z,5'Z,5''Z,8Z,8'Z,8''Z,11Z,11'Z,11''Z,14Z,14'Z,14''Z)-5,8,11,14-Eicosatetraenoic Acid 1,2,3-Propanetriyl Ester; (all-Z)-5,8,11,14-Eicosatetraenoic Acid 1,2,3-Propanetriyl Ester; Optimar (glyceride); Triglyceride AdAdAd; Triarachidonin

Database IDs

• CAS Number: 23314-57-0
• PubChem SID: 164234790
• PubChem CID: 9545801

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 19.915913
• LogD (pH = 7.4): 19.915913
• Log P: 19.915913
• Molar Refractivity: 309.9015 cm^3
• Polarizability: 116.29744 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 50
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - T767335

Triarachidonin is the triacylgylcerol derivative or Arachidonic Acid (A765000). Studies show that Triarachidonin stimulated prostaglandin synthesis in the kidney in a dose dependent manner. Triarachidonin as well as other polyunsaturated fatty acids have

REFERENCES

• Fujimoto, Y. et al.: Prostagland. Leuko. Essent. Fatty Acids., 42, 251 (1991)
• Waters, K.M. et al.: Lipids, 31, S33 (1991)