Package name: 3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol

Package ID: 1718
Force-field: OPLS-AA | Code: Gromacs
Created by Bogdan Iorga (biorga)
Created at 2016-09-03 23:07:54
Modified at 2016-09-03 23:07:54


The topology was generated using MOL2FF.

Chemical structure

General view

Detailed view


No citations associated with these parameters.

Reference validation values

These are experimental values or high-level quantum mechanics values, which will be used for comparison with computed values (found in individual versions).

Files and history

All deposited versions are available and can be downloaded individually. Higher version numbers are more recent. Files that changed between versions can be identified by differing SHA1 hash checksums.

Version 1 created at 2016-09-03

Score 1/5 "These parameters are not validated yet"

Computed validation values

preprocessor output "grompp-compatible"
Created at 2016-09-03 23:07:55 | Modified at 2016-10-29 12:07:07 | [download zip]
Type Description Hash (SHA1)
Topology L4P-ion-1.itp ca91a3c9e25d3d1aa64cb0a0d8e75a2881b684c4
Structure L4P-ion-1.pdb 7f4316a5ad93b368890e0bbc991fe0712401d80c

Compound details

Ligand code L4P
Molecule identifier 13A6025427FF2E17
Displayed name 3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol
Canonical IUPAC name
Formula C46H94O8P
Molecular weight 806.22
Charge -1
Number of atoms 149
PubChem CID
Other names


Type CC BY-SA – Creative Commons Attribution-Share Alike License
Name Bogdan I. Iorga
Email (hidden)
Source MOL2FF (