Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PGM : Summary

Code

PGM

One-letter code

X

Molecule name

1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]

Synonyms

LYSOPHOSPHATIDYLGLYCEROL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2,3-dihydroxypropyl (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate
OpenEye OEToolkits 1.5.0 [(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxy-propyl] phosphate

Formula

C22 H44 O9 P

Formal charge

-1

Molecular weight

483.553 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC
SMILES CACTVS 3.385 CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO
SMILES OpenEye OEToolkits 1.7.5 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 1.7.5 CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O

IUPAC InChI

InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1

IUPAC InChI key

BVJSKAUUFXBDOB-SFTDATJTSA-M
PGM

wwPDB Information

Atom count

76 (32 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-12-12

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned