MiMeDB: Showing metabocard for 2,3-dimethylbutyric-acid

Microbial

Human

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2025-10-03 04:30:06 UTC

Update Date

2025-10-08 21:35:51 UTC

Metabolite ID

MMDBc0061177

Metabolite Identification

Common Name

2,3-dimethylbutyric-acid_L-phenylalanine

Description

2,3-dimethylbutyric-acid_L-phenylalanine is a branched-chain amino acid derivative belonging to the class of amino acids. There is limited literature available on this metabolite, indicating a need for further research to understand its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₅H₂₁NO₃

Average Mass

263.337

Monoisotopic Mass

263.15214354

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

HUEXMALYBCLCMN-YUZLPWPTSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Phenylalanine and derivatives

Alternative Parents

Substituents

Phenylalanine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
3-phenylpropanoic-acid
Amphetamine or derivatives
Monocyclic benzene moiety
Fatty amide
Fatty acyl
Benzenoid
N-acyl-amine
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Not Available

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

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

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
Bacteria/Eubacteria	Proteobacteria	15	Human ; Human sputum; Human subgingival plaque; Human feces; Human feces; pleural fluid plaque; bal	Microbial culture
Bacteria/Eubacteria	Verrucomicrobia	1	Human feces; Human ; Human urine	Microbial culture
Eukaryota/Fungi	Ascomycota	6	Human feces; Human supragingival plaque; Human sputum	Microbial culture
Bacteria	Actinobacteria	2	Human ; Human feces; Human saliva; Human mucosa; Human sputum; Human bronchial brush; Human nasopharyngeal swab	Microbial culture
Bacteria/Eubacteria	Bacteroidetes	19	Human feces; Human saliva; Human ; Human urine; Human mucosa	Microbial culture
Bacteria/Eubacteria	Actinobacteria	7	Human ; Human feces; Human saliva; Human mucosa; Human sputum; Human bronchial brush; Human nasopharyngeal swab	Microbial culture
Bacteria/Eubacteria	Firmicutes	43	Human ; Human feces; Human saliva; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human urine; Human sputum; Human vaginal fluid; Human unknown	Microbial culture
Bacteria	Firmicutes	8	Human ; Human feces; Human saliva; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human urine; Human sputum; Human vaginal fluid; Human unknown	Microbial culture
Bacteria	Proteobacteria	3	Human ; Human sputum; Human subgingival plaque; Human feces; Human feces; pleural fluid plaque; bal	Microbial culture
Eukaryota	nah	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

64032775

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

HUEXMALYBCLCMN-YUZLPWPTSA-N

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for 2,3-dimethylbutyric-acid_L-phenylalanine (MMDBc0061177)

MOL for #<Metabolite:0x00007f9ac7fc0cb0>

3D MOL for #<Metabolite:0x00007f9ac7fc0cb0>

3D SDF for #<Metabolite:0x00007f9ac7fc0cb0>

3D-SDF for #<Metabolite:0x00007f9ac7fc0cb0>

PDB for #<Metabolite:0x00007f9ac7fc0cb0>

3D PDB for #<Metabolite:0x00007f9ac7fc0cb0>

SMILES for #<Metabolite:0x00007f9ac7fc0cb0>

INCHI for #<Metabolite:0x00007f9ac7fc0cb0>

Structure for #<Metabolite:0x00007f9ac7fc0cb0>

3D Structure for #<Metabolite:0x00007f9ac7fc0cb0>