ferriheme a
Molecular Formula:
C49H56FeN4O6+
InChI: InChI=1/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/fC49H56N4O6.Fe/h56,58H;/q-2;m
InChIKey: InChIKey=HIXFOFPPNIASLP-UXHUUHOODO
SMILES: [H]C(=O)C1=C(CCC(O)=O)C2=[N]3C1=Cc4c(C)c(C(O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)c5C=C6C(C)=C(C=C)C7=[N]6[Fe+]3(N8C(=C7)C(C)=C(CCC(O)=O)C8=C2)n45
Names:
CHEBI:36183
ferriheme a
(cytoporphyrinato)iron(III)
(cytoporphyrinato)iron(1+)
Registries:
PubChem CID 11966290
ChEBI 36183
PubChem ID 17425436
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