Chemical Components in the PDB

pdbe.org/chem
spacer

GPJ : Summary

Code

GPJ

One-letter code

X

Molecule name

GLYPHOSATE

Systematic names

ProgramVersionName
ACDLabs 10.04 carboxy-N-(phosphonomethyl)methanaminium
OpenEye OEToolkits 1.5.0 carboxymethyl-(phosphonomethyl)azanium

Formula

C3 H9 N O5 P

Formal charge

1

Molecular weight

170.081 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C[NH2+]CP(=O)(O)O
SMILES CACTVS 3.341 OC(=O)C[NH2+]C[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)[NH2+]CP(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(=O)C[NH2+]C[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)[NH2+]CP(=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)/p+1

IUPAC InChI key

XDDAORKBJWWYJS-UHFFFAOYSA-O
GPJ

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned