MiMeDB: Showing metabocard for Methionine sulfone (MMDBc0000695)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:52:56 UTC

Update Date

2024-10-11 04:53:19 UTC

Metabolite ID

MMDBc0000695

Metabolite Identification

Common Name

Methionine sulfone

Description

Based on a literature review very few articles have been published on (2R,3R)-N-[(5S)-5-({[(2R)-2-amino-3-selanylpropanoyl]asparagyllysylasparagyl}amino)-6-asparagyltryptophyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₅H₁₁NO₄S

Average Mass

181.21

Monoisotopic Mass

181.040878535

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChI Key

UCUNFLYVYCGDHP-BYPYZUCNSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Urine

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

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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
Bacteria	Actinobacteria	1	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected and Quantified	0.46	0.83	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Urine	Detected and Quantified	0.52	1.1	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Blood	Detected but not Quantified							HMDB

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

Not Available

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

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Showing metabocard for Methionine sulfone (MMDBc0000695)

MOL for #<Metabolite:0x00007f532acf5538>

3D MOL for #<Metabolite:0x00007f532acf5538>

3D SDF for #<Metabolite:0x00007f532acf5538>

3D-SDF for #<Metabolite:0x00007f532acf5538>

PDB for #<Metabolite:0x00007f532acf5538>

3D PDB for #<Metabolite:0x00007f532acf5538>

SMILES for #<Metabolite:0x00007f532acf5538>

INCHI for #<Metabolite:0x00007f532acf5538>

Structure for #<Metabolite:0x00007f532acf5538>

3D Structure for #<Metabolite:0x00007f532acf5538>