MiMeDB: Showing metabocard for 1,2-Dioctanoyl-sn-glycerol 3-diphosphate (MMDBc0057170)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-11-09 19:22:34 UTC

Update Date

2025-10-07 16:09:54 UTC

Metabolite ID

MMDBc0057170

Metabolite Identification

Common Name

1,2-Dioctanoyl-sn-glycerol 3-diphosphate

Description

1,2-Dioctanoyl-sn-glycerol 3-diphosphate is a glycerophospholipid. There is limited literature available on this metabolite, indicating that it may not be widely studied or characterized in existing biomedical research.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,2-Dioctanoyl-sn-glycero-3-diphosphate	ChEBI
1,2-Dioctanoyl-sn-glycero-3-diphosphoric acid	Generator
1,2-Dioctanoyl-sn-glycerol 3-diphosphoric acid(3-)	Generator

Molecular Formula

C₁₉H₃₅O₁₁P₂

Average Mass

501.427

Monoisotopic Mass

501.167106683

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

MBDSUZSCJLRKPC-QGZVFWFLSA-K

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrophosphatidic acids. These are lipids structurally characterized by the presence of a glycerol moiety bonded to two aliphatic chains through ester linkages, and to a pyrophosphate group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycero-3-pyrophosphates

Direct Parent

Pyrophosphatidic acids

Alternative Parents

Substituents

Diacyl-glycerol-3-pyrophosphate
Organic pyrophosphate
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Carboxylic acid ester
Carboxylic acid derivative
Carbonyl group
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

1,2-diacyl-sn-glycerol 3-diphosphate(3-) (CHEBI:82765 )

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

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

86289944

PDB ID

Not Available

ChEBI ID

82765

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

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 1,2-Dioctanoyl-sn-glycerol 3-diphosphate (MMDBc0057170)

MOL for #<Metabolite:0x00007fadd83d65e8>

3D MOL for #<Metabolite:0x00007fadd83d65e8>

3D SDF for #<Metabolite:0x00007fadd83d65e8>

3D-SDF for #<Metabolite:0x00007fadd83d65e8>

PDB for #<Metabolite:0x00007fadd83d65e8>

3D PDB for #<Metabolite:0x00007fadd83d65e8>

SMILES for #<Metabolite:0x00007fadd83d65e8>

INCHI for #<Metabolite:0x00007fadd83d65e8>

Structure for #<Metabolite:0x00007fadd83d65e8>

3D Structure for #<Metabolite:0x00007fadd83d65e8>