MiMeDB: Showing metabocard for Methyl sulfate (MMDBc0030361)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:05:16 UTC

Update Date

2022-08-31 17:44:21 UTC

MiMeDB ID

MMDBc0030361

Metabolite Identification

Common Name

Methyl sulfate

Description

Methyl bisulfate is a chemical compound with the molecular formula CH3OSO3H. This compound is the mono-methyl ester of sulfuric acid. The significance of methyl bisulfate is that it is an intermediate in the hydrolysis of the important reagent dimethyl sulfate, (CH3)2SO4. Methyl bisulfate is an acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₄O₄S

Average Molecular Weight

112.105

Monoisotopic Molecular Weight

111.983029306

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

75-93-4

SMILES

Not Available

InChI Identifier

InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)

InChI Key

JZMJDSHXVKJFKW-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	1	Human	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

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

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Methyl sulfate (MMDBc0030361)

MOL for #<Metabolite:0x000055b76e280c78>

3D MOL for #<Metabolite:0x000055b76e280c78>

3D SDF for #<Metabolite:0x000055b76e280c78>

3D-SDF for #<Metabolite:0x000055b76e280c78>

PDB for #<Metabolite:0x000055b76e280c78>

3D PDB for #<Metabolite:0x000055b76e280c78>

SMILES for #<Metabolite:0x000055b76e280c78>

INCHI for #<Metabolite:0x000055b76e280c78>

Structure for #<Metabolite:0x000055b76e280c78>

3D Structure for #<Metabolite:0x000055b76e280c78>