MiMeDB: Showing metabocard for PE-NMe2(12:0/23:1(11Z)) (MMDBc0045619)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 13:57:19 UTC

Update Date

2022-09-01 01:17:44 UTC

MiMeDB ID

MMDBc0045619

Metabolite Identification

Common Name

PE-NMe2(12:0/23:1(11Z))

Description

PE-NMe2(12:0/23:1(11Z)) is a dimethylphosphatidylethanolamine. It is a glycerophospholipid, and is formed by sequential methylation of phosphatidylethanolamine as part of a mechanism for biosynthesis of phosphatidylcholine. Dimethylphosphatidylethanolamines are usually found at trace levels in animal or plant tissues. They can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions.PE-NMe2(12:0/23:1(11Z)), in particular, consists of one dodecanoyl chain to the C-1 atom, and one 11Z-tricosanoyl to the C-2 atom. Fatty acids containing 16, 18 and 20 carbons are the most common. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₂H₈₂NO₈P

Average Molecular Weight

760.091

Monoisotopic Molecular Weight

759.577805602

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C42H82NO8P/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3)4)38-48-41(44)34-32-30-28-26-14-12-10-8-6-2/h20-21,40H,5-19,22-39H2,1-4H3,(H,46,47)/b21-20-

InChI Key

FKHZDHBGYIROBA-MRCUWXFGSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

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

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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
Fungi	Ascomycota	1	Human Feces	Unknown

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

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for PE-NMe2(12:0/23:1(11Z)) (MMDBc0045619)

MOL for #<Metabolite:0x000055b76dcea868>

3D MOL for #<Metabolite:0x000055b76dcea868>

3D SDF for #<Metabolite:0x000055b76dcea868>

3D-SDF for #<Metabolite:0x000055b76dcea868>

PDB for #<Metabolite:0x000055b76dcea868>

3D PDB for #<Metabolite:0x000055b76dcea868>

SMILES for #<Metabolite:0x000055b76dcea868>

INCHI for #<Metabolite:0x000055b76dcea868>

Structure for #<Metabolite:0x000055b76dcea868>

3D Structure for #<Metabolite:0x000055b76dcea868>