MiMeDB: Showing metabocard for 3a,12a-7-OAc-dihydroxy-5b-cholanoic-acid_(R,Z)-12-hydroxyoctadec-9-enoic-acid

Microbial

Human

Co-metabolite

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2025-10-02 16:45:05 UTC

Update Date

2025-10-08 21:35:01 UTC

Metabolite ID

MMDBc0060503

Metabolite Identification

Common Name

3a,12a-7-OAc-dihydroxy-5b-cholanoic-acid_(R,Z)-12-hydroxyoctadec-9-enoic-acid_3-hydroxybutanoic-acid

Description

3a,12a-7-OAc-dihydroxy-5b-cholanoic-acid_(R,Z)-12-hydroxyoctadec-9-enoic-acid_3-hydroxybutanoic-acid is a complex lipid metabolite. There is limited literature available on this metabolite, indicating that further research may be necessary to fully understand its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₄₈H₈₀O₁₀

Average Mass

817.158

Monoisotopic Mass

816.575148776

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

KWAUCLOILQYXNL-DNLQXMPQSA-N

Chemical Taxonomy

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	Actinobacteria	2	Human ; Human feces; Human saliva; Human mucosa	Microbial culture
Bacteria/Eubacteria	Proteobacteria	3	Human ; Human feces; Human feces; pleural fluid plaque; bal	Microbial culture
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Microbial culture
Bacteria/Eubacteria	Bacteroidetes	17	Human feces; Human ; Human vaginal fluid; Chicken ; Human saliva	Microbial culture
Bacteria/Eubacteria	Fusobacteria	1	Human feces	Microbial culture
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces; Human urine	Microbial culture
Bacteria/Eubacteria	Firmicutes	17	Human feces; Human ; Human saliva; Human mucosa; Human vaginal fluid	Microbial culture
Eukaryota/Fungi	Ascomycota	1	Human feces	Microbial culture
Bacteria	Firmicutes	2	Human feces; Human ; Human saliva; Human mucosa; Human vaginal fluid	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

KWAUCLOILQYXNL-DNLQXMPQSA-N

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for 3a,12a-7-OAc-dihydroxy-5b-cholanoic-acid_(R,Z)-12-hydroxyoctadec-9-enoic-acid_3-hydroxybutanoic-acid (MMDBc0060503)

MOL for #<Metabolite:0x00007f9aa721f518>

3D MOL for #<Metabolite:0x00007f9aa721f518>

3D SDF for #<Metabolite:0x00007f9aa721f518>

3D-SDF for #<Metabolite:0x00007f9aa721f518>

PDB for #<Metabolite:0x00007f9aa721f518>

3D PDB for #<Metabolite:0x00007f9aa721f518>

SMILES for #<Metabolite:0x00007f9aa721f518>

INCHI for #<Metabolite:0x00007f9aa721f518>

Structure for #<Metabolite:0x00007f9aa721f518>

3D Structure for #<Metabolite:0x00007f9aa721f518>