L-gamma-Glutamyl-S-[(4S,5R,6E,8E,10Z,12E,14S)-1-carboxy-4,14-dihydroxy-6,8,10,12-nonadecatetraen-5-yl]-L-cysteinylglycine
[CAS# 85951-62-8]

Identification

• Name: L-gamma-Glutamyl-S-[(4S,5R,6E,8E,10Z,12E,14S)-1-carboxy-4,14-dihydroxy-6,8,10,12-nonadecatetraen-5-yl]-L-cysteinylglycine
• Synonyms: 15(S)-hydroxy-δ(13)-trans-leukotriene C3; 15-Hydroxy-δ-13-leukotriene C3; 15-OH-Ltc3
• Molecular Formula: C₃₀H₄₇N₃O₁₀S
• Molecular Weight: 641.77
• CAS Registry Number: 85951-62-8
• SMILES: O=C(N[C@H](C(=O)NCC(=O)O)CS[C@H](\C=C\C=C\C=C/C=C/[C@@H](O)CCCCC)[C@@H](O)CCCC(=O)O)CC[C@@H](C(=O)O)N
• InChI: 1S/C30H47N3O10S/c1-2-3-8-12-21(34)13-9-6-4-5-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h4-7,9-10,13,15,21-25,34-35H,2-3,8,11-12,14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,7-5+,13-9+,15-10+/t21-,22-,23-,24-,25+/m0/s1
• InChIKey: CYCIJLWHNZKKBC-MTFYIJSJSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 1011.974°C at 760 mmHg (Cal.)
• Flash point: 565.821°C (Cal.)