Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Protoporphyrin IX

Protoporphyrin IX synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C34H34N4O4

Natural Isotopic Abundance Mass: 562.658159999998

Mono-Isotopic Molecular Masses:

  • C12N14: 562.258005588001
  • C13N14: 596.372070080001
  • C12N15: 566.246145160001
  • C13N15: 600.360209652001

InChI string: InChI=1S/C34H34N4O4/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/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-

MMCD: cq_18971
PubChem Compound (CID): 4971

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,