MiMeDB: Showing metabocard for 2-methylpentanoic-acid

Microbial

Human

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2025-10-03 04:50:21 UTC

Update Date

2025-10-08 21:35:53 UTC

Metabolite ID

MMDBc0061202

Metabolite Identification

Common Name

2-methylpentanoic-acid_D-isoleucine

Description

2-methylpentanoic-acid_D-isoleucine is a branched-chain amino acid derivative belonging to the class of organic compounds known as carboxylic acids. There is limited literature available on this metabolite, indicating that further research is needed to fully understand its biological significance and potential implications in health and disease.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₂H₂₃NO₃

Average Mass

229.32

Monoisotopic Mass

229.167793605

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

KSPKWJKVCLARDC-RCAUJQPQSA-N

Chemical Taxonomy

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	Species

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/Eubacteria	Proteobacteria	6	Human ; Human sputum; Human subgingival plaque; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Microbial culture
Bacteria/Eubacteria	Bacteroidetes	5	Human feces; Human stool; Human ; Human saliva; Human urine	Microbial culture
Bacteria/Eubacteria	Actinobacteria	1	Human ; Human feces; Human stool; Human saliva; Human mucosa	Microbial culture
Bacteria/Eubacteria	Verrucomicrobia	1	Human feces; Human stool; Human ; Human urine	Microbial culture
Bacteria/Eubacteria	Firmicutes	7	Human ; Human stool; Human feces; Human subgingival plaque; Human saliva	Microbial culture
Bacteria	Firmicutes	2	Human ; Human stool; Human feces; Human subgingival plaque; Human saliva	Microbial culture
Bacteria	Actinobacteria	1	Human ; Human feces; Human stool; Human saliva; Human mucosa	Microbial culture
Bacteria/Eubacteria	Fusobacteria	1	Human feces	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

CMMC Knowledgebase

KSPKWJKVCLARDC-RCAUJQPQSA-N

References

Synthesis Reference

Not Available

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for 2-methylpentanoic-acid_D-isoleucine (MMDBc0061202)

MOL for #<Metabolite:0x00007f2a9c3bb848>

3D MOL for #<Metabolite:0x00007f2a9c3bb848>

3D SDF for #<Metabolite:0x00007f2a9c3bb848>

3D-SDF for #<Metabolite:0x00007f2a9c3bb848>

PDB for #<Metabolite:0x00007f2a9c3bb848>

3D PDB for #<Metabolite:0x00007f2a9c3bb848>

SMILES for #<Metabolite:0x00007f2a9c3bb848>

INCHI for #<Metabolite:0x00007f2a9c3bb848>

Structure for #<Metabolite:0x00007f2a9c3bb848>

3D Structure for #<Metabolite:0x00007f2a9c3bb848>