MiMeDB: Showing metabocard for 1-Decanoyl-sn-glycerol (MMDBc0057173)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-11-09 19:23:32 UTC

Update Date

2022-11-09 19:23:32 UTC

MiMeDB ID

MMDBc0057173

Metabolite Identification

Common Name

1-Decanoyl-sn-glycerol

Description

1-decanoyl-sn-glycerol, also known as MG(10:0/0:0/0:0), belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. Based on a literature review a significant number of articles have been published on 1-decanoyl-sn-glycerol.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-Capryl-sn-glycerol	ChEBI
MG(10:0/0:0/0:0)	ChEBI

Chemical Formula

C₁₃H₂₆O₄

Average Molecular Weight

246.347

Monoisotopic Molecular Weight

246.183109317

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

LKUNXBRZDFMZOK-LBPRGKRZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Monoradylglycerols

Direct Parent

1-monoacylglycerols

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

1-acyl-sn-glycerol (CHEBI:75503 )
1-monocaprylglycerol (CHEBI:75503 )

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

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

71728399

PDB ID

Not Available

ChEBI ID

75503

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 1-Decanoyl-sn-glycerol (MMDBc0057173)

MOL for #<Metabolite:0x000055b76ddac8a0>

3D MOL for #<Metabolite:0x000055b76ddac8a0>

3D SDF for #<Metabolite:0x000055b76ddac8a0>

3D-SDF for #<Metabolite:0x000055b76ddac8a0>

PDB for #<Metabolite:0x000055b76ddac8a0>

3D PDB for #<Metabolite:0x000055b76ddac8a0>

SMILES for #<Metabolite:0x000055b76ddac8a0>

INCHI for #<Metabolite:0x000055b76ddac8a0>

Structure for #<Metabolite:0x000055b76ddac8a0>

3D Structure for #<Metabolite:0x000055b76ddac8a0>