gamma-Glutamyl-S-[(6E,8E,10E,13E)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycine
[CAS# 75290-60-7]

Identification

• Name: gamma-Glutamyl-S-[(6E,8E,10E,13E)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycine
• Synonyms: 14,15-Leukotriene C4
• Molecular Formula: C₃₀H₄₇N₃O₉S
• Molecular Weight: 625.77
• CAS Registry Number: 75290-60-7
• SMILES: OC(CCCC(O)=O)C(\C=C\C=C\C=C\C\C=C\CCCCC)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
• InChI: 1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6+,10-9+,12-11+,16-13+
• InChIKey: GWNVDXQDILPJIG-KVUXNHQJSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 974.349°C at 760 mmHg (Cal.)
• Flash point: 543.067°C (Cal.)