(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid
[CAS# 72025-60-6]

Identification

• Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid
• Synonyms: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-3-(Carboxymethylamino)-3-Oxo-Propyl]Sulfanyl-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-3-(Carboxymethylamino)-3-Oxopropyl]Thio]-5-Hydroxyicosa-7,9,11,14-Tetraenoic Acid; (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-(Carboxymethylamino)-3-Keto-Propyl]Thio]-5-Hydroxy-Icosa-7,9,11,14-Tetraenoic Acid
• Molecular Formula: C₃₀H₄₇N₃O₉S
• Molecular Weight: 625.78
• CAS Registry Number: 72025-60-6
• SMILES: [C@@H](\C=C\C=C\C=C/C/C=C\CCCCC)([C@H](CCCC(O)=O)O)SC[C@@H](C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=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+/t22-,23-,24-,25+/m0/s1
• InChIKey: GWNVDXQDILPJIG-NXOLIXFESA-N

Properties

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

References

• (1): Yanes et al.. Metabolic oxidation regulates embryonic stem cell differentiation, Nature Chemical Biology, 2010