MetaCyc Compound Class: heme d

Superclasses: a macrocyclea porphyrinheme
an organometallic compound

'heme' is usually understood as any tetrapyrrolic chelate of iron. The terms 'ferroheme' and 'ferriheme' refer to the Fe(II) and Fe(III) oxidation states in heme (even though Fe(IV) is found as a catalytic intermediate in some systems).

The term "heme d" has been used to describe the heme group of cytochromes d. However, the various alternative forms for hemes found in cytochromes d preclude such a simple classification.

heme <i>d</i> compound structure

Chemical Formula: C34H32N4O6Fe

Molecular Weight: 648.5 Daltons

Monoisotopic Molecular Weight: 650.1827769448 Daltons

SMILES: C=CC8(=C(C4(=[N+]7([Fe]25([N+]1(C(C(C(C=1C=C3(N2C(C(=C3C)C=C)=C4))(C)O)(CCC(=O)[O-])O)=CC6(N5C(=C(C=6CCC(=O)[O-])C)C=C78))))))C)

InChI: InChI=1S/C34H36N4O6.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,43)34(44,12-11-32(41)42)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23;/h7-8,13-16,43-44H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-4/t33-,34+;/m0./s1


Unification Links: ChEBI:62811, PubChem:46926174

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 230.51686Inferred by computational analysis [Latendresse13]

In Reactions of unknown directionality:

Not in pathways:
heme b + hydrogen peroxide = heme d

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: cytochrome bd-I terminal oxidase, catalase, sulfite oxidase, sulfite:cytochrome c oxidoreductase


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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