MiMeDB: Showing metabocard for 2-methylpyridine (MMDBc0033484)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:50:34 UTC

Update Date

2022-08-31 22:36:23 UTC

Metabolite ID

MMDBc0033484

Metabolite Identification

Common Name

2-methylpyridine

Description

2-Methylpyridine, also known as alpha-picoline or 2-mepy, belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. 2-Methylpyridine, or 2-picoline, is the compound described with formula C6H7N. 2-Methylpyridine is a colorless liquid that has an unpleasant odor similar to pyridine. 2-Methylpyridine is a very strong basic compound (based on its pKa). 2-Methylpyridine is a bitter and sweat tasting compound. Outside of the human body, 2-Methylpyridine has been detected, but not quantified in, corns and tea. This could make 2-methylpyridine a potential biomarker for the consumption of these foods. Pyridines including 2-Methylpyridine are most crudely prepared by the reaction of acetylene and hydrogen cyanide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Mepy	ChEBI
2-Picoline	ChEBI
alpha-Picoline	ChEBI
O-Methylpyridine	ChEBI
O-Picoline	ChEBI
a-Picoline	Generator
Α-picoline	Generator
2-Picolinium bromide	MeSH

Molecular Formula

C₆H₇N

Average Mass

93.1265

Monoisotopic Mass

93.057849229

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

109-06-8

SMILES

Not Available

InChI Identifier

InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3

InChI Key

BSKHPKMHTQYZBB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Methylpyridines

Direct Parent

Methylpyridines

Alternative Parents

Substituents

Methylpyridine
Heteroaromatic compound
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

methylpyridine (CHEBI:50415 )

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Saliva

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

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
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Food Exposures

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
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	24421258

External Links

HMDB ID

HMDB0061888

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB004399

KNApSAcK ID

Not Available

Chemspider ID

13839199

KEGG Compound ID

C14447

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

2-methylpyridine

METLIN ID

Not Available

PubChem Compound

7975

PDB ID

Not Available

ChEBI ID

50415

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Haviv F, DeNet RW, Michaels RJ, Ratajczyk JD, Carter GW, Young PR: 2-[(Phenylthio)methyl]pyridine derivatives: new antiinflammatory agents. J Med Chem. 1983 Feb;26(2):218-22. doi: 10.1021/jm00356a018. [PubMed:6827539 ]
Wikipedia [Link]
Robert Osborne, Kevin D. Bailey, 'Preparation of 2-chloro-5-methylpyridine.' U.S. Patent US4612377, issued September, 1984. [Link]
Dev D. Suresh, Robert DiCosimo, Richard Loiseau, Maria S. Friedrich, Hsiao-Chiung Szabo, 'Preparation of 3-methylpyridine from 2-methylglutaronitrile.' U.S. Patent US5066809, issued June, 1985. [Link]

Showing metabocard for 2-methylpyridine (MMDBc0033484)

MOL for #<Metabolite:0x00007f12410ad688>

3D MOL for #<Metabolite:0x00007f12410ad688>

3D SDF for #<Metabolite:0x00007f12410ad688>

3D-SDF for #<Metabolite:0x00007f12410ad688>

PDB for #<Metabolite:0x00007f12410ad688>

3D PDB for #<Metabolite:0x00007f12410ad688>

SMILES for #<Metabolite:0x00007f12410ad688>

INCHI for #<Metabolite:0x00007f12410ad688>

Structure for #<Metabolite:0x00007f12410ad688>

3D Structure for #<Metabolite:0x00007f12410ad688>