RCSB PDB - Ligand Summary
Author: RCSB Protein Data Bank
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PROTOPORPHYRIN IX CONTAINING FE HEM is found in 3177 entries | HEM Display Files close Structure Data File mmCIF component definition Download Files close Structure Data File mmCIF component definition Share this Page
- Chemical Component Summary | Hide
  Name | PROTOPORPHYRIN IX CONTAINING FE
  Identifiers | 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
  Synonyms | HEME
  Formula | C34 H32 Fe N4 O4
  Molecular Weight | 616.49 g/mol
  Type | non-polymer
  Isomeric SMILES | CC1=C(CCC(O)=O)C2=Cc3c(CCC(O)=O)c(C)c4C=C5C(C)=C(C=C)C6=[N]5[Fe]5([N]2=C1C=c1c(C=C)c(C)c(=C6)n51)n34
  InChI | 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/h7-8,13-16,36-37H,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-
  InChI key | FEDYMSUPMFCVOD-UJJXFSCMSA-N
- The chemistry of this component is ambiguous (group, ion, metal cluster etc.)
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  Instances in PDB Entries | Hide
- In polymers: 1 entries Ex: 3TNK As free ligands: 3177 entries Ex: 101M, 102M, 103M... Found in 3177 entries total.
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  Chemical Details | Hide
  Formal Charge | 0
  Atom Count | 75
  Chiral Atom Count | 1
  Chiral Atoms | FE
  Bond Count | 82
  Aromatic Bond Count | 28