Nitrosylprotoheme
[CAS# 54854-55-6]

Identification

• Name: Nitrosylprotoheme
• Synonyms: Nitrosoheme; Nitrosylferroheme; Nitrosylheme
• Molecular Formula: C₃₄H₃₂FeN₅O₅
• Molecular Weight: 646.50
• CAS Registry Number: 54854-55-6
• SMILES: [O+]#N.[N-]3C4=CC1=C(C(=C([N-]1)C=C2N=C(C(=C2C=C)C)C=C5N=C(C=C3C(=C4CCC([O-])=O)C)C(=C5C=C)C)C)CCC([O-])=O.[H+].[H+].[Fe]
• InChI: 1S/C34H34N4O4.Fe.NO/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;/q;;+1/p-2
• InChIKey: VVJKIDCZHAUALD-UHFFFAOYSA-L