Package name: [(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] phosphate

Package ID: 1713
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 23:07:54 | Modified at 2016-10-29 12:07:07 | [download zip]
Type Description Hash (SHA1)
Topology L1P-ion-1.itp 47f4ffb5c09bd372b81bf56093d83d4a043620f9
Structure L1P-ion-1.pdb c5b0d27206a90f17138622b8fafc7abeccf0f021

Compound details

Ligand code L1P
Molecule identifier BBD9A0BC652667BD
Displayed name [(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] phosphate
Canonical IUPAC name [(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] phosphate
Formula C43H87O6P
Molecular weight 731.13
Charge -2
Number of atoms 137
PubChem CID 71581080
Other names


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