LipidLynxX

The LipidLynxX project is aimed to provide a unified identifier for major lipids, especially oxidized lipids in the epilipidome.

LipidLynxX on LIPID MAPS® Lipidomics Gateway

Thanks to LIPID MAPS, you can now use LipidLynxX on LIPID MAPS® Lipidomics Gateway

http://lipidmaps.org/lipidlynxx/

latest client release: v0.9.24

• Download Windows version: LipidLynxX_v0-9-24.zip ~125MB
• Unzip it to a folder e.g. D:\LipidLynxX
• Find and double click the LipidLynxX.exe to run!

Main Modules

• LipidLynxX Converter

  • Convert different abbreviations to uniformed LipidLynxX ID

• LipidLynxX Equalizer

  • Cross compare different level of LipidLynxX ID on selected level

• LipidLynxX Linker

  • Link lipid abbreviations to available resources

Key Features

• Optimized for manual interpretation and computer processing
• Suitable for both unmodified lipids and modified lipids
• Unified modification controlled vocabularies
• Unified position specific annotations
• Cross level match based on shared levels
• Extract key information from LipidLynxX ID
• Strictly controlled format using JSON schema
• Easy to use Graphic User Interface
• API access for professional users
• Command line tools for professional users

Supported lipid notation styles

The current LipidLynxX source code was tested using our collection of lipid abbreviations for major lipid classes from following databases and programs:

• Databases (5):

  • HMDB, LIPID MAPS LMSD & COMP_DB, LipidHome, RefMet, SwissLipids

• Programs (17):

  • ALEX123 lipid calculator, Greazy, LDA 2, LipidBlast, LipidCreator, LipiDex, LipidFrag, LipidHunter, LipidMatch, LipidPro, LipidSearch, Lipostar, LIQUID, LPPtiger, MetFrag, MS-DIAL, MZmine2

• Shorthand Notations

  • Shorthand notation using space: e.g. PC 16:0_18:2
  • Shorthand notation derivatives using brackets: e.g. PC(16:0_18:2)

• Common abbreviations (customizable):

  • Abbreviations such as DHA, PAPE, PLPC, PONPC .etc are also included as defined alias. detailed settings can be found in lynx/configurations/defined_alias.json

Important Notice

If your database / program is not included in the list above, you can test if any of the configuration files located in lynx/configurations/rules/input would fit to your database / program. If conversion is not possible, please contact us so that we can help you to generate suitable configuration file.

A robust and accurate converter can only be achieved by community-wide collaborations, thus any issue reports from general users and developers are welcome and will improve LipidLynxX project.

Thus, if you meet any issues during using LipidLynxX, please report your issue here

Notice to general users

An easy to use .exe version for Windows platform users is available for test purpose only.

• Download LipidLynxX_v0-9-24.zip ~125MB
• Unzip it to a folder
• Find the LipidLynxX.exe and double click
• LipidLynxX backend will pop-up a webpage in your default web browser e.g. Chrome, and a command line window for debug information.
• Please allow LipidLynxX to pass firewall for the Linker module to access databases
• Just close the command line debug window to quit LipidLynxX
• Due to limitations of packaging, please run max 3 tasks at the same time.
• Known issues: if Linker runs more than 300s or more than 30s/per ID, please restart LipidLynxX and try again.

Additional notice to developers

Since the code is still changing rapidly, the definitions of API and documentations in the source code may not be updated accordingly. We kindly ask if you have any plans to use LipidLynxX API contact us first, or follow this repository to get timely notifications when new changes are introduced.

New features of LipidLynxX is generally developed using repository https://github.com/ZhixuNi/LipidLynxX.

• Please use python 3.8.5 and run from source code.
• Recommend to use "pip install -r requirements.txt" in an virtual env to install the dependencies
• run python LipidLynxX.py to start GUI.
• run python cli_lynx.py to start GUI.
• please check lynx\config.ini for more settings of ports and max clients/workers

Instructions

Sample files:

• Test input file: LipidLynxX/doc/sample_data/input
• Test output file: LipidLynxX/doc/sample_data/output

How to install and use LipidLynxX

Please find our user guide in folder doc.

• User Guide in PDF format
• User Guide in Markdown format

Try LipidLynxX simple converter demo on mybinder.org

This demo is always updated automatically to the latest source code on the master branch. To preview the latest changes on the converter without dealing with source code.

Just click this button 👉

And wait a bit ☕ Binder and Jupyter Notebook will prepare LipidLynxX demo for you.

• You can paste a list of lipid abbreviations, select export style, and download the output table as .csv or .xlsx.

• If you observed some IDs not converted in the Windows .exe version, try this demo to see if it got fixed.

• You can run the notebook named converter_notebook.ipynb in this repository as well.

Screenshots

• GUI

• API

  • LipidLynxX provides API documentation using both OpenAI (left) and ReDoc (right)

• Terminal Tools

  • LipidLynxX provide the same function in command line.

        python cli_lynx.py
    

    

• Use as Python module

  • Please check examples_notebook.ipynb
  • You can find online interactive version via Binder

LipidLynxX Nomenclature

• LipidLynxX levels

  • Lipid level:

    • B: Bulk
    • M: Molecular species
    • S: sn Specific

  • Modification levels:

    • 0 : no modification
    • 1 : mass shift
    • 2 : element shift
    • 3 : number and type of modification
    • 4 : modification position information
    • 5 : additional information (e.g. R-/S-)

  • Double bond levels:

    • .0 : no information of double bond position (.0 should always be skipped, e.g. B0.0 -> B0)
    • .1 : double bond position information given
    • .2 : cis- / trans- information of all C=C bond

• LipidLynxX level matrix

  • The combinations of 3 sub-levels result in a matrix of LipidLynxX levels

    • e.g. B2 , D4, and S4.2

    | Mod | DB | | Bulk | Molecular species | | | sn Specific | | | | ---- | ---- | ---- | ------ | -------- | -------- | -------- | ----------- | -------- | -------- | | 0 | | | B | M | | | S | | | | | .1 | | | | M0.1 | | | S0.1 | | | | | .2 | | | | M0.2 | | | S0.2 | | 1. | | | B1 | M1 | | | S1 | | | | | .1 | | | | M1.1 | | | S1.1 | | | | | .2 | | | | M1.2 | | | S1.2 | | 2. | | | B2 | M2 | | | S2 | | | | | .1 | | | | M2.1 | | | S2.1 | | | | | .2 | | | | M2.2 | | | S2.2 | | 3. | | | B3 | M3 | | | S3 | | | | | .1 | | | | M3.1 | | | S3.1 | | | | | .2 | | | | M3.2 | | | S3.2 | | 4. | | | | M4 | | | S4 | | | | | .1 | | | | M4.1 | | | S4.1 | | | | | .2 | | | | M4.2 | | | S4.2 | | 5. | | | | M5 | | | S5 | | | | | .1 | | | | M5.1 | | | S5.1 | | | | | .2 | | | | **M5.