MiMeDB: Showing metabocard for Deoxycholic-acid

Microbial

Human

Co-metabolite

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2025-10-02 19:23:28 UTC

Update Date

2025-10-08 21:35:07 UTC

Metabolite ID

MMDBc0060590

Metabolite Identification

Common Name

Deoxycholic-acid_L-leucine

Description

Deoxycholic-acid_L-leucine is a bile acid derivative that belongs to the class of amino acid conjugates. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its biochemical roles and implications.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₃₀H₅₁NO₅

Average Mass

505.74

Monoisotopic Mass

505.376723746

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

RKYMGSQLTHKABZ-DTHHIQQKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Bile acids, alcohols and derivatives

Direct Parent

Dihydroxy bile acids, alcohols and derivatives

Alternative Parents

Substituents

Triterpenoid
Dihydroxy bile acid, alcohol, or derivatives
3-alpha-hydroxysteroid
Hydroxysteroid
12-hydroxysteroid
3-hydroxysteroid
Leucine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid or derivatives
Fatty acyl
N-acyl-amine
Fatty amide
Cyclic alcohol
Secondary alcohol
Carboxamide group
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	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
Bacteria/Eubacteria	Firmicutes	3	Human ; Human feces	Microbial culture
Bacteria/Eubacteria	Fusobacteria	1	Human feces	Microbial culture
Bacteria	Actinobacteria	1	Human	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

171116550

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

RKYMGSQLTHKABZ-DTHHIQQKSA-N

References

Synthesis Reference

Not Available

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for Deoxycholic-acid_L-leucine (MMDBc0060590)

MOL for #<Metabolite:0x00007fb4d5de7b28>

3D MOL for #<Metabolite:0x00007fb4d5de7b28>

3D SDF for #<Metabolite:0x00007fb4d5de7b28>

3D-SDF for #<Metabolite:0x00007fb4d5de7b28>

PDB for #<Metabolite:0x00007fb4d5de7b28>

3D PDB for #<Metabolite:0x00007fb4d5de7b28>

SMILES for #<Metabolite:0x00007fb4d5de7b28>

INCHI for #<Metabolite:0x00007fb4d5de7b28>

Structure for #<Metabolite:0x00007fb4d5de7b28>

3D Structure for #<Metabolite:0x00007fb4d5de7b28>