(5S,7E,9E,11Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11-Trienoic Acid
[CAS# 77165-74-3]

Identification

• Name: (5S,7E,9E,11Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11-Trienoic Acid
• Synonyms: (5S,7E,9E,11Z)-6-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxo-Propyl]Sulfanyl-5-Hydroxy-Icosa-7,9,11-Trienoic Acid; (5S,7E,9E,11Z)-6-[[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Thio]-5-Hydroxyicosa-7,9,11-Trienoic Acid; 2-[[(2R)-2-Amino-3-[[(2E,4E,6Z)-1-[(1S)-1,5-Dihydroxy-5-Keto-Pentyl]Pentadeca-2,4,6-Trienyl]Thio]Propanoyl]Amino]Acetic Acid
• Molecular Formula: C₂₅H₄₂N₂O₆S
• Molecular Weight: 498.68
• CAS Registry Number: 77165-74-3
• SMILES: [C@H](C(NCC(=O)O)=O)(N)CSC(\C=C\C=C\C=C/CCCCCCCC)[C@H](CCCC(=O)O)O
• InChI: 1S/C25H42N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h9-13,16,20-22,28H,2-8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b10-9-,12-11+,16-13+/t20-,21-,22?/m0/s1
• InChIKey: SBFPHBDUKAKWJL-UMPCWDDMSA-N