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Substance Name: Hydroxymesoheme
RN: 79408-05-2
InChIKey: IPVPQBMCSMWROC-XUAKKJKFSA-L

Note

  • Intermediate of heme degradation in the heme oxygenase reaction.

Molecular Formula

  • C44-H44-Fe-N6-O5.2H

Molecular Weight

  • 794.7294
 
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Names and Synonyms

Name of Substance

  • Hydroxymesoheme

Synonym

  • Hydroxymesoporphyrin IX

Systematic Name

  • Ferrate(2-), (7,12-diethyl-10-hydroxy-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)bis(pyridine)-, dihydrogen, (OC-6-23)-

Registry Numbers

CAS Registry Number

  • 79408-05-2

System Generated Number

  • 0079408052

Molecular Formulas

Molecular Formula

  • C44-H44-Fe-N6-O5.2H

Molecular Formula Fragments

  • C44-H44-Fe-N6-O5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C34H38N4O5.2C5H5N.Fe/c1-7-20-19(6)32-34(43)33-21(8-2)16(3)26(37-33)13-24-17(4)22(9-11-30(39)40)28(35-24)15-29-23(10-12-31(41)42)18(5)25(36-29)14-27(20)38-32;2*1-2-4-6-5-3-1;/h13-15H,7-12H2,1-6H3,(H5,35,36,37,38,39,40,41,42,43);2*1-5H;/q;;;+2/p-2/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;;;

InChIKey

IPVPQBMCSMWROC-XUAKKJKFSA-L

Smiles

CCC1=C(C)C2=N/C/1=C(/O)\c3c(C)c(CC)c4\C=C\5/N=C(\C=C\6/N(\C(=C/2)\C(=C6CCC(=O)[O-])C)[Fe](n34)([N]7=CC=CC=C7)[N]8=CC=CC=C8)C(=C5C)CCC(=O)[O-]