MiMeDB: Showing metabocard for Palmitic-acid_diethanolamine (MMDBc0061547)

Microbial

Human

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2025-10-03 09:35:36 UTC

Update Date

2025-10-03 09:35:36 UTC

Metabolite ID

MMDBc0061547

Metabolite Identification

Common Name

Palmitic-acid_diethanolamine

Description

7545-24-6 belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Based on a literature review very few articles have been published on 7545-24-6.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₂₀H₄₁NO₃

Average Mass

343.552

Monoisotopic Mass

343.308644184

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

VJESJEJNMGVQLZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

N-acyl-amine
Tertiary carboxylic acid amide
Carboxamide group
Alkanolamine
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	13	Human feces; Human stool; Human ; Human urine; Human saliva	Microbial culture
Bacteria/Eubacteria	Fusobacteria	3	Human ; Human mucosa; Human supragingival plaque; Human urine; Human feces; Human saliva; Human subgingival plaque	Microbial culture
Bacteria/Eubacteria	Firmicutes	20	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human feces; Human subgingival plaque; Human urine; Human stool; Human unknown	Microbial culture
Eukaryota/Fungi	Ascomycota	5	Human supragingival plaque; Human feces	Microbial culture
Bacteria/Eubacteria	Actinobacteria	4	Human feces; Human ; Human mucosa; Human stool; Human saliva; Human sputum	Microbial culture
Bacteria	Firmicutes	7	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human feces; Human subgingival plaque; Human urine; Human stool; Human unknown	Microbial culture
Bacteria/Eubacteria	Proteobacteria	5	Human ; Human feces; Human saliva; Human urine; Human sputum; Human supragingival plaque; Human mucosa; Human stool	Microbial culture
Bacteria	nah	1	Human feces; Human ; Human sputum	Microbial culture
Eukaryota	nah	1		Microbial culture
Bacteria	Actinobacteria	3	Human feces; Human ; Human mucosa; Human stool; Human saliva; Human sputum	Microbial culture
Bacteria	Proteobacteria	8	Human ; Human feces; Human saliva; Human urine; Human sputum; Human supragingival plaque; Human mucosa; Human stool	Microbial culture
Bacteria/Eubacteria	nah	1	Human feces; Human ; Human sputum	Microbial culture
Bacteria	Cyanobacteria	2		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

82046

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Collaborative Microbial Metabolite Center Knowledgebase [Link]

Showing metabocard for Palmitic-acid_diethanolamine (MMDBc0061547)

MOL for #<Metabolite:0x00007ff840ff41d8>

3D MOL for #<Metabolite:0x00007ff840ff41d8>

3D SDF for #<Metabolite:0x00007ff840ff41d8>

3D-SDF for #<Metabolite:0x00007ff840ff41d8>

PDB for #<Metabolite:0x00007ff840ff41d8>

3D PDB for #<Metabolite:0x00007ff840ff41d8>

SMILES for #<Metabolite:0x00007ff840ff41d8>

INCHI for #<Metabolite:0x00007ff840ff41d8>

Structure for #<Metabolite:0x00007ff840ff41d8>

3D Structure for #<Metabolite:0x00007ff840ff41d8>