16-Carboxy-17,18,19,20-Tetranor-14,15-Dihydro-N-Acetylleukotriene E4
[CAS# 114115-52-5]

Identification

• Name: 16-Carboxy-17,18,19,20-Tetranor-14,15-Dihydro-N-Acetylleukotriene E4
• Synonyms: (5Z,7E,9E,11R,12S)-11-(2-Acetamido-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-12-Hydroxy-Hexadeca-5,7,9-Trienedioic Acid; (5Z,7E,9E,11R,12S)-11-[(2-Acetamido-3-Hydroxy-3-Oxopropyl)Thio]-12-Hydroxyhexadeca-5,7,9-Trienedioic Acid; (5Z,7E,9E,11R,12S)-11-[(2-Acetamido-3-Hydroxy-3-Keto-Propyl)Thio]-12-Hydroxy-Hexadeca-5,7,9-Trienedioic Acid
• Molecular Formula: C₂₁H₃₁NO₈S
• Molecular Weight: 457.54
• CAS Registry Number: 114115-52-5
• SMILES: [C@H](SCC(NC(=O)C)C(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/CCCC(=O)O
• InChI: 1S/C21H31NO8S/c1-15(23)22-16(21(29)30)14-31-18(17(24)10-9-13-20(27)28)11-7-5-3-2-4-6-8-12-19(25)26/h2-5,7,11,16-18,24H,6,8-10,12-14H2,1H3,(H,22,23)(H,25,26)(H,27,28)(H,29,30)/b4-2-,5-3+,11-7+/t16?,17-,18+/m0/s1
• InChIKey: HOQKVFXMQKUNKQ-MPUPJYDHSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 821.87°C at 760 mmHg (Cal.)
• Flash point: 450.851°C (Cal.)