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Substance Name: Heme O
RN: 137397-56-9
InChIKey: ACKWGVZNLQZMDB-KVGORYHISA-N

Note

  • Hemes of cytochrome o; heme A-like molecule, containing a 17-carbon hydroxyethylfarnesyl side chain but with a methyl residue replacing the formyl group.

Molecular Formula

  • C49-H56-Fe-N4-O5.2H

Molecular Weight

  • 842.897
 
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Names and Synonyms

Name of Substance

  • Heme O

Systematic Names

  • Ferrate(2-), (7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen
  • Heme O

Registry Numbers

CAS Registry Number

  • 137397-56-9

System Generated Number

  • 0137397569

Molecular Formulas

Molecular Formula

  • C49-H56-Fe-N4-O5.2H

Molecular Formula Fragments

  • C49-H56-Fe-N4-O5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,52-54H,1,11-13,15,17,19-23H2,2-9H3,(H,55,56)(H,57,58);/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;

InChIKey

ACKWGVZNLQZMDB-KVGORYHISA-N

Smiles

[n-]12c=3c(C)c(c1=Cc1c(c(C=C)c=4[n]1[Fe@@+2]12[n-]2c(c(CCC([O-])=O)c(C)c2C4)C=c2[n]1c(c(C)c2CCC([O-])=O)C3)C)[C@@H](CC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)O