Package name: [(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate

Package ID: 2198
Force-field: OPLS-AA | Code: Gromacs
Created by Bogdan Iorga (biorga)
Created at 2016-09-03 23:09:01
Modified at 2016-09-03 23:09:01


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

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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 23:09:01 | Modified at 2016-10-29 12:09:10 | [download zip]
Type Description Hash (SHA1)
Topology PGM.itp 7f4f4c3dcfccdfe1284df2ce3dba691b48b34a01
Structure PGM.pdb 4a960c76cfac553aa3613d675587e39c1fc509b9

Compound details

Ligand code PGM
Molecule identifier 6127131CDABFE493
Displayed name [(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate
Canonical IUPAC name [(2S)-2,3-bis(oxidanyl)propyl] [(2S)-3-hexadecanoyloxy-2-oxidanyl-propyl] phosphate
Formula C22H44O9P
Molecular weight 483.56
Charge -1
Number of atoms 76
PubChem CID 5289143
Other names [(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate • [(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxy-propyl] phosphate • [(2S)-2,3-dihydroxypropyl] [(2S)-2-hydroxy-3-(1-oxohexadecoxy)propyl] phosphate • glyceryl [(2S)-3-hexadecanoyloxy-2-hydroxy-propyl] phosphate • LYSOPHOSPHATIDYLGLYCEROL • PGM • 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]


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