Chemical Components in the PDB

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PGA : Summary

Code

PGA

One-letter code

X

Molecule name

2-PHOSPHOGLYCOLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (phosphonooxy)acetic acid
OpenEye OEToolkits 1.5.0 2-phosphonooxyethanoic acid

Formula

C2 H5 O6 P

Formal charge

0

Molecular weight

156.031 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(=O)O
SMILES CACTVS 3.341 OC(=O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(=O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)

IUPAC InChI key

ASCFNMCAHFUBCO-UHFFFAOYSA-N
PGA

wwPDB Information

Atom count

14 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned