Chemical Components in the PDB

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GPF : Summary

Code

GPF

One-letter code

X

Molecule name

N-(phosphonomethyl)glycine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(phosphonomethyl)glycine
OpenEye OEToolkits 1.5.0 2-(phosphonomethylamino)ethanoic acid

Formula

C3 H8 N O5 P

Formal charge

0

Molecular weight

169.073 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CNCP(=O)(O)O
SMILES CACTVS 3.341 OC(=O)CNC[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)NCP(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(=O)CNC[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)NCP(=O)(O)O

IUPAC InChI

InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)

IUPAC InChI key

XDDAORKBJWWYJS-UHFFFAOYSA-N
GPF

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-12-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned