MiMeDB: Showing metabocard for Oleoyl chloride

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2025-10-03 01:20:53 UTC

Update Date

2025-10-03 01:20:53 UTC

Metabolite ID

MMDBc0060943

Metabolite Identification

Common Name

Oleoyl chloride_hydroquinone

Description

SCHEMBL10940165 belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Based on a literature review very few articles have been published on SCHEMBL10940165.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₂₄H₃₈O₃

Average Mass

374.565

Monoisotopic Mass

374.282095084

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

ACFTXMNLPCIGAC-KTKRTIGZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol esters

Sub Class

Not Available

Direct Parent

Phenol esters

Alternative Parents

Substituents

Phenol ester
Phenoxy compound
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Monocyclic benzene moiety
Fatty acyl
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
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

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

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	Bacteroidetes	28	Human feces; Human stool; Human ; Human mucosa; Human saliva; Human vaginal fluid; Chicken	Microbial culture
Bacteria/Eubacteria	Actinobacteria	5	Human ; Human feces; Human supragingival plaque; Human subgingival plaque; Human saliva; Human stool; Human mucosa	Microbial culture
Bacteria/Eubacteria	Firmicutes	20	Human ; Human vaginal fluid; Human mucosa; Human supragingival plaque; Human feces; Human stool; Human saliva; Human sputum; Human subgingival plaque	Microbial culture
Bacteria	Actinobacteria	3	Human ; Human feces; Human supragingival plaque; Human subgingival plaque; Human saliva; Human stool; Human mucosa	Microbial culture
Bacteria/Eubacteria	Fusobacteria	2	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human subgingival plaque; Human feces	Microbial culture
Bacteria	Firmicutes	8	Human ; Human vaginal fluid; Human mucosa; Human supragingival plaque; Human feces; Human stool; Human saliva; Human sputum; Human subgingival plaque	Microbial culture
Bacteria/Eubacteria	Proteobacteria	3	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Microbial culture
Bacteria/Eubacteria	Verrucomicrobia	2	Human feces; Human stool; Human ; Human urine	Microbial culture
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	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

70477483

PDB ID

Not Available

ChEBI ID

Not Available

CMMC Knowledgebase

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for Oleoyl chloride_hydroquinone (MMDBc0060943)

MOL for #<Metabolite:0x00007fd44996b520>

3D MOL for #<Metabolite:0x00007fd44996b520>

3D SDF for #<Metabolite:0x00007fd44996b520>

3D-SDF for #<Metabolite:0x00007fd44996b520>

PDB for #<Metabolite:0x00007fd44996b520>

3D PDB for #<Metabolite:0x00007fd44996b520>

SMILES for #<Metabolite:0x00007fd44996b520>

INCHI for #<Metabolite:0x00007fd44996b520>

Structure for #<Metabolite:0x00007fd44996b520>

3D Structure for #<Metabolite:0x00007fd44996b520>