Showing Metabocard for siroheme (BASm0003926)
| Common Name | Siroheme |
|---|---|
| Description | Siroheme belongs to the class of Precorrins. These are intermediates formed by methylation at one or more of the four rings prior to the formation of the macrocyclic corrin ring. (inferred from compound structure)Siroheme (or sirohaem) is a heme-like prosthetic group used by some enzymes to accomplish the six-electron reduction of sulfur and nitrogen. Siroheme is synthesized from uroporphyrinogen III, a heme and vitamin B12 precursor. It plays a major role in the sulfur assimilation pathway: converting sulfite to a biologically useful sulfide, which can be incorporated into the organic compound homocysteine. (WikiPedia) |
| Structure | |
| Molecular Formula | C42H44FeN4O16 |
| Average Mass | 916.66100 |
| Monoisotopic Mass | 916.21017 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 52553-42-1 |
| SMILES | C[C@@]1(CC(=O)[O-])C2=CC3=[N+]4C(=Cc5c(CCC(=O)[O-])c(CC(=O)[O-])c6n5[Fe-2]45N2C(=CC2=[N+]5C(=C6)[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-])[C@H]1CCC(=O)[O-])C(CCC(=O)[O-])=C3CC(=O)[O-] |
| InChI Identifier | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1 |
| InChI Key | DLKSSIHHLYNIKN-QIISWYHFSA-L |
| CHEBI ID | CHEBI:60052 |
| MiMeDB ID | MMDBc0030097 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |