Phycoerythrobilin
[CAS# 18097-67-1]

Identification

• Name: Phycoerythrobilin
• Synonyms: 3-[2-[(E)-[(5E)-3-(2-Carboxyethyl)-5-[[(3Z)-3-Ethylidene-4-Methyl-5-Oxo-Pyrrol-2-Yl]Methylene]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-4-Methyl-5-[(3-Methyl-5-Oxo-4-Vinyl-1,2-Dihydropyrrol-2-Yl)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(E)-[(5E)-3-(2-Carboxyethyl)-5-[[(3Z)-3-Ethylidene-4-Methyl-5-Oxo-2-Pyrrolyl]Methylene]-4-Methyl-2-Pyrrolylidene]Methyl]-4-Methyl-5-[(3-Methyl-5-Oxo-4-Vinyl-1,2-Dihydropyrrol-2-Yl)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(E)-[(5E)-3-(2-Carboxyethyl)-5-[[(3Z)-3-Ethylidene-5-Keto-4-Methyl-1-Pyrrolin-2-Yl]Methylene]-4-Methyl-3-Pyrrolin-2-Ylidene]Methyl]-5-[(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₃₈N₄O₆
• Molecular Weight: 586.69
• CAS Registry Number: 18097-67-1
• SMILES: C(C1NC(=O)C(=C1C)C=C)C2=C(C(=C([NH]2)\C=C/3NC(/C(=C3CCC(O)=O)C)=C/C4=NC(=O)C(\C4=C\C)C)CCC(O)=O)C
• InChI: 1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,34-35H,2,9-13H2,1,3-6H3,(H,36,43)(H,38,39)(H,40,41)/b20-7-,25-14+,29-15+
• InChIKey: GLWKVDXAQHCAIO-CDHJOLGUSA-N

Properties

• Density: 1.315g/cm³ (Cal.)