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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

5,10,15,20-Tetraphenyl-21H,23H-porphine Zinc

5,10,15,20-Tetraphenyl-21H,23H-porphine Zinc bmse001106 - Data

5,10,15,20-Tetraphenyl-21H,23H-porphine Zinc synonyms

Wikipedia:

Graphical representations:

5,10,15,20-Tetraphenyl-21H,23H-porphine

View large 3D structure

Molecular Formula: C44H28N4Zn

Natural Isotopic Abundance Mass: 678.099919999999

Mono-Isotopic Molecular Masses:

  • C12N14: 676.160538916001
  • C13N14: 720.308151788
  • C12N15: 680.148678488001
  • C13N15: 724.29629136

InChI string: InChI=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;

PubChem Compound (CID): 3580039

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, https://www.nature.com/articles/sdata201773)