MiMeDB: Showing metabocard for Tetra-mu3-sulfido-tetrairon(2+) (MMDBc0057108)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-10-17 17:52:58 UTC

Update Date

2022-10-17 17:52:58 UTC

Metabolite ID

MMDBc0057108

Metabolite Identification

Common Name

Tetra-mu3-sulfido-tetrairon(2+)

Description

tetra-mu3-sulfido-tetrairon(2+) is also known as [4fe-4S](2+) or [fe4(mu3-S)4](2+). Based on a literature review very few articles have been published on tetra-mu3-sulfido-tetrairon(2+).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[4Fe-4S](2+)	ChEBI
[4Fe-4S](2+) cluster	ChEBI
[Fe4(mu3-S)4](2+)	ChEBI
[Fe4S4](2+)	ChEBI
Fe4S4(2+)	ChEBI
Tetra-mu3-sulphido-tetrairon(2+)	Generator

Molecular Formula

Fe₄S₄

Average Mass

351.62

Monoisotopic Mass

351.626932

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[S]12[Fe]3[S]4[Fe]1[S]1[Fe+]2[S]3[Fe+]41

InChI Identifier

InChI=1S/4Fe.4S/q;;2*+1;;;;

InChI Key

YEAYMLBNRJYVPB-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Property	Value	Source
logP	0.92	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	23.02 m³·mol⁻¹	ChemAxon
Polarizability	19.84 Å³	ChemAxon
Number of Rings	5	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

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

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0024342	Tetra-mu3-sulfido-tetrairon(2+)	Hydrogen Ion	15,16-dihydrobiliverdin:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024539	Hydrogen Ion	5'-Deoxyadenosine	Lipoyl synthase	Synthesis	RHEA	34755880
MMDBr0024555	Tetra-mu3-sulfido-tetrairon(2+)	Hydrogen Ion	6-hydroxynicotinate reductase	Reduction	RHEA	34755880
MMDBr0024709	Tetra-mu3-sulfido-tetrairon(2+)	Hydrogen Ion	Phycoerythrobilin:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024793	Tetra-mu3-sulfido-tetrairon(2+)	Hydrogen Ion	Phycoerythrobilin synthase	Synthesis	RHEA	34755880
MMDBr0024819	Hydrogen Ion	Water	Cytochrome P450(MEG)	Hydroxylation	RHEA	34755880
MMDBr0024833	Tetra-mu3-sulfido-tetrairon(2+)	Water	Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein	Reduction	RHEA	34755880
MMDBr0024849	Water	Hydrogen Ion	4-hydroxybenzoyl-CoA reductase subunit gamma	Reduction	RHEA	34755880
MMDBr0024850	oxalate	Carbon dioxide	Oxalate oxidoreductase subunit delta	Redox reaction	RHEA	34755880
MMDBr0024852	Tetra-mu3-sulfido-tetrairon(2+)	Water	Benzoyl-CoA reductase subunit C	Reduction	RHEA	34755880
MMDBr0024928	Hydrogen Ion	Water	Pentalenic acid synthase	Synthesis	RHEA	34755880
MMDBr0024950	Tetra-mu3-sulfido-tetrairon(2+)	Hydrogen Ion	Digeranylgeranylglycerophospholipid reductase	Reduction	RHEA	34755880
MMDBr0024951	Hydrogen Ion	Tetra-mu3-sulfido-tetrairon(2+)	Digeranylgeranylglycerophospholipid reductase	Reduction	RHEA	34755880
MMDBr0025501	Tetra-mu3-sulfido-tetrairon(2+)	Hydrogen Ion	Digeranylgeranylglycerophospholipid reductase	Reduction	RHEA	34755880
MMDBr0025502	Hydrogen Ion	Tetra-mu3-sulfido-tetrairon(2+)	Digeranylgeranylglycerophospholipid reductase	Reduction	RHEA	34755880
MMDBr0025660	Hydrogen Ion	Water	L-aspartate semialdehyde sulfurtransferase	Sulfuration	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

Source Type	Source Sub-type	Species	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

21865182

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

33722

Food Biomarker Ontology

Not Available

References

Synthesis Reference

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 Tetra-mu3-sulfido-tetrairon(2+) (MMDBc0057108)

MOL for #<Metabolite:0x00007fa4e5ad04f8>

3D MOL for #<Metabolite:0x00007fa4e5ad04f8>

3D SDF for #<Metabolite:0x00007fa4e5ad04f8>

3D-SDF for #<Metabolite:0x00007fa4e5ad04f8>

PDB for #<Metabolite:0x00007fa4e5ad04f8>

3D PDB for #<Metabolite:0x00007fa4e5ad04f8>

SMILES for #<Metabolite:0x00007fa4e5ad04f8>

INCHI for #<Metabolite:0x00007fa4e5ad04f8>

Structure for #<Metabolite:0x00007fa4e5ad04f8>

3D Structure for #<Metabolite:0x00007fa4e5ad04f8>