MiMeDB: Showing metabocard for DG(28:0/14:0/0:0) (MMDBc0060269)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2023-02-03 21:38:07 UTC

Update Date

2023-02-03 21:38:07 UTC

Metabolite ID

MMDBc0060269

Metabolite Identification

Common Name

DG(28:0/14:0/0:0)

Description

(2R,3R)-N-[(5S)-5-({[(2R)-2-amino-3-selanylpropanoyl]asparagyllysylasparagyl}amino)-6-asparagyltryptophyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Based on a literature review very few articles have been published on (2R,3R)-N-[(5S)-5-({[(2R)-2-amino-3-selanylpropanoyl]asparagyllysylasparagyl}amino)-6-asparagyltryptophyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₄₅H₈₈O₅

Average Mass

709.194

Monoisotopic Mass

708.663175934

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

CTBPTGQNXNMKDI-QLKFWGTOSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Diradylglycerols

Direct Parent

1,2-diacylglycerols

Alternative Parents

Substituents

1,2-acyl-sn-glycerol
Fatty acid ester
Fatty acyl
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
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

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0037165	TG(10:0/14:0/28:0)	Decanoate (N-C10:0)	Triacylglycerol lipase 4	Lipid (ester bond) hydrolysis; Reduction	RHEA	34755880
MMDBr0037265	TG(12:0/14:0/28:0)	DG(28:0/14:0/0:0)	Triacylglycerol lipase 4	Lipid (ester bond) hydrolysis; Reduction	RHEA	34755880
MMDBr0037337	TG(14:0/14:0/28:0)	DG(28:0/14:0/0:0)	Triacylglycerol lipase 4	Lipid (ester bond) hydrolysis; Reduction	RHEA	34755880

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

Exposure Sources

Source Type	Source Sub-type	Species	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Showing metabocard for DG(28:0/14:0/0:0) (MMDBc0060269)

MOL for #<Metabolite:0x000055e8c8cb7580>

3D MOL for #<Metabolite:0x000055e8c8cb7580>

3D SDF for #<Metabolite:0x000055e8c8cb7580>

3D-SDF for #<Metabolite:0x000055e8c8cb7580>

PDB for #<Metabolite:0x000055e8c8cb7580>

3D PDB for #<Metabolite:0x000055e8c8cb7580>

SMILES for #<Metabolite:0x000055e8c8cb7580>

INCHI for #<Metabolite:0x000055e8c8cb7580>

Structure for #<Metabolite:0x000055e8c8cb7580>

3D Structure for #<Metabolite:0x000055e8c8cb7580>