MiMeDB: Showing metabocard for di-mu-Sulfido-diiron(1+) (MMDBc0057111)

Microbial

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-10-17 17:53:18 UTC

Update Date

2025-10-07 16:09:49 UTC

Metabolite ID

MMDBc0057111

Metabolite Identification

Common Name

di-mu-Sulfido-diiron(1+)

Description

di-mu-Sulfido-diiron(1+) is a metal complex belonging to the class of iron-sulfur compounds. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its properties and biological significance.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[2Fe-2S](1+)	ChEBI
[Fe2(mu-S)2](+)	ChEBI
[Fe2S2](+)	ChEBI
Di-mu-sulphido-diiron(1+)	Generator

Molecular Formula

Fe₂S₂

Average Mass

175.81

Monoisotopic Mass

175.813466

IUPAC Name

cyclodiferrathian-2-ylium

Traditional Name

di-mu-sulfido-diiron(1+)

CAS Registry Number

Not Available

SMILES

S1[Fe]S[Fe+]1

InChI Identifier

InChI=1S/2Fe.2S/q;+1;;

InChI Key

MAGIRAZQQVQNKP-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Property	Value	Source
logP	2.03	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.51 m³·mol⁻¹	ChemAxon
Polarizability	10.29 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0024391	alpha-Ketoisovaleric acid	di-mu-Sulfido-diiron(1+)	Ketoisovalerate oxidoreductase subunit VorC	Redox reaction	RHEA	34755880
MMDBr0024406	L-Glutamic acid	alpha-Ketoglutarate	Ferredoxin-dependent glutamate synthase 1	Synthesis	RHEA	34755880
MMDBr0024421	Indolepyruvate	di-mu-Sulfido-diiron(1+)	Indolepyruvate oxidoreductase subunit IorA	Redox reaction	RHEA	34755880
MMDBr0024429	di-mu-Sulfido-diiron(2+)	di-mu-Sulfido-diiron(1+)	Pyruvate synthase subunit PorB	Redox reaction; Synthesis	RHEA	34755880
MMDBr0024430	di-mu-Sulfido-diiron(2+)	di-mu-Sulfido-diiron(1+)	Pyruvate:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024431	di-mu-Sulfido-diiron(1+)	di-mu-Sulfido-diiron(2+)	Pyruvate:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024453	(1R,4R)-camphor	(1R,4R,5R)-5-hydroxycamphor	Camphor 5-monooxygenase	Oxygenation	RHEA	34755880
MMDBr0024499	di-mu-Sulfido-diiron(2+)	di-mu-Sulfido-diiron(1+)	Phycocyanobilin:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024532	di-mu-Sulfido-diiron(2+)	di-mu-Sulfido-diiron(1+)	Tungsten-containing aldehyde ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024537	di-mu-Sulfido-diiron(1+)	di-mu-Sulfido-diiron(2+)	Toluene 1,2-dioxygenase system ferredoxin--NAD(+) reductase component	Reduction	RHEA	34755880
MMDBr0024539	Tetra-mu3-sulfido-tetrairon(2+)	5'-Deoxyadenosine	Lipoyl synthase	Synthesis	RHEA	34755880
MMDBr0024558	alpha-Ketoglutarate	di-mu-Sulfido-diiron(1+)	2-oxoglutarate synthase subunit KorA	Redox reaction; Synthesis	RHEA	34755880
MMDBr0024566	Hydrogen	di-mu-Sulfido-diiron(1+)	Membrane-bound hydrogenase subunit alpha	Hydrogenation	RHEA	34755880
MMDBr0024588	di-mu-Sulfido-diiron(2+)	Nitrite	Assimilatory ferredoxin-dependent nitrite reductase	Reduction	RHEA	34755880
MMDBr0024639	di-mu-Sulfido-diiron(2+)	di-mu-Sulfido-diiron(1+)	Molybdenum-containing formylmethanofuran dehydrogenase 1 subunit C	Dehydrogenation	RHEA	34755880
MMDBr0024650	di-mu-Sulfido-diiron(1+)	di-mu-Sulfido-diiron(2+)	Ferredoxin--NADP reductase	Dehydrogenation; Reduction	RHEA	34755880
MMDBr0024661	di-mu-Sulfido-diiron(1+)	di-mu-Sulfido-diiron(2+)	Ubiquinone biosynthesis monooxygenase COQ6, mitochondrial	Oxygenation	RHEA	34755880
MMDBr0024671	Carbon monoxide	di-mu-Sulfido-diiron(1+)	Acetyl-CoA decarbonylase/synthase complex subunit alpha	Dehydrogenation; Synthesis	RHEA	34755880
MMDBr0024686	Nitrogen	Hydrogen	Nitrogenase iron protein	Nitrogen fixation	RHEA	34755880
MMDBr0024695	Nitrite	Nitrate	Assimilatory nitrate reductase	Reduction	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

21865187

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

33738

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for di-mu-Sulfido-diiron(1+) (MMDBc0057111)

MOL for #<Metabolite:0x00007fade84385a8>

3D MOL for #<Metabolite:0x00007fade84385a8>

3D SDF for #<Metabolite:0x00007fade84385a8>

3D-SDF for #<Metabolite:0x00007fade84385a8>

PDB for #<Metabolite:0x00007fade84385a8>

3D PDB for #<Metabolite:0x00007fade84385a8>

SMILES for #<Metabolite:0x00007fade84385a8>

INCHI for #<Metabolite:0x00007fade84385a8>

Structure for #<Metabolite:0x00007fade84385a8>

3D Structure for #<Metabolite:0x00007fade84385a8>