N-Acetyl Leukotriene E4
[CAS# 80115-95-3]

Identification

• Name: N-Acetyl Leukotriene E4
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-6-(2-Acetamido-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2-Acetamido-3-Hydroxy-3-Oxopropyl)Thio]-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2-Acetamido-3-Hydroxy-3-Keto-Propyl)Thio]-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid
• Molecular Formula: C₂₅H₃₉NO₆S
• Molecular Weight: 481.65
• CAS Registry Number: 80115-95-3
• SMILES: [C@H](SCC(NC(=O)C)C(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/C/C=C\CCCCC
• InChI: 1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1
• InChIKey: BGGYAYMMFYBWEX-PJEAHERNSA-N

Properties

• Density: 1.137g/cm³ (Cal.)
• Boiling point: 754.491°C at 760 mmHg (Cal.)
• Flash point: 410.102°C (Cal.)