MiMeDB: Showing metabocard for 3-methylbutanoic-acid

Microbial

Human

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2025-10-03 05:35:19 UTC

Update Date

2025-10-03 05:35:19 UTC

Metabolite ID

MMDBc0061257

Metabolite Identification

Common Name

3-methylbutanoic-acid_L-methionine

Description

SCHEMBL9554921 belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on SCHEMBL9554921.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₀H₁₉NO₃S

Average Mass

233.33

Monoisotopic Mass

233.10856465

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

JCOYMIGUZVEFJA-QMMMGPOBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Methionine and derivatives

Alternative Parents

Substituents

Methionine or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Branched fatty acid
Thia fatty acid
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Carboxamide group
Secondary carboxylic acid amide
Dialkylthioether
Monocarboxylic acid or derivatives
Carboxylic acid
Sulfenyl compound
Thioether
Organic nitrogen compound
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Not Available

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

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank

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
Bacteria	Firmicutes	1	Human feces; Human	Microbial culture
Bacteria	Proteobacteria	1		Microbial culture
Bacteria/Eubacteria	Firmicutes	1	Human feces; Human	Microbial culture
Eukaryota/Fungi	Ascomycota	1		Microbial culture

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

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

30050807

PDB ID

Not Available

ChEBI ID

Not Available

CMMC Knowledgebase

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for 3-methylbutanoic-acid_L-methionine (MMDBc0061257)

MOL for #<Metabolite:0x00007fd42b5d9740>

3D MOL for #<Metabolite:0x00007fd42b5d9740>

3D SDF for #<Metabolite:0x00007fd42b5d9740>

3D-SDF for #<Metabolite:0x00007fd42b5d9740>

PDB for #<Metabolite:0x00007fd42b5d9740>

3D PDB for #<Metabolite:0x00007fd42b5d9740>

SMILES for #<Metabolite:0x00007fd42b5d9740>

INCHI for #<Metabolite:0x00007fd42b5d9740>

Structure for #<Metabolite:0x00007fd42b5d9740>

3D Structure for #<Metabolite:0x00007fd42b5d9740>