MiMeDB: Showing metabocard for HDCA_(R)-(-)-methyl mandelate (MMDBc0060694)

Microbial

Human

Co-metabolite

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2025-10-02 21:33:34 UTC

Update Date

2025-10-08 21:35:14 UTC

Metabolite ID

MMDBc0060694

Metabolite Identification

Common Name

HDCA_(R)-(-)-methyl mandelate

Description

HDCA_(R)-(-)-methyl mandelate is a chiral compound belonging to the class of mandelic acid derivatives. There is limited literature available on this metabolite, indicating that its biological significance and potential applications remain underexplored in the scientific community.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₂₅H₄₂O₄

Average Mass

406.607

Monoisotopic Mass

406.308309832

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

BWDRDVHYVJQWBO-FOVVUBNDSA-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	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Microbial culture
Eukaryota	nah	1		Microbial culture
Eukaryota/Fungi	Ascomycota	1		Microbial culture
Bacteria/Eubacteria	Actinobacteria	2	Human ; Human feces; Human stool; Human saliva; Human mucosa	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

46909979

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

BWDRDVHYVJQWBO-FOVVUBNDSA-N

References

Synthesis Reference

Not Available

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for HDCA_(R)-(-)-methyl mandelate (MMDBc0060694)

MOL for #<Metabolite:0x00007fb4e95f26e8>

3D MOL for #<Metabolite:0x00007fb4e95f26e8>

3D SDF for #<Metabolite:0x00007fb4e95f26e8>

3D-SDF for #<Metabolite:0x00007fb4e95f26e8>

PDB for #<Metabolite:0x00007fb4e95f26e8>

3D PDB for #<Metabolite:0x00007fb4e95f26e8>

SMILES for #<Metabolite:0x00007fb4e95f26e8>

INCHI for #<Metabolite:0x00007fb4e95f26e8>

Structure for #<Metabolite:0x00007fb4e95f26e8>

3D Structure for #<Metabolite:0x00007fb4e95f26e8>