Chemical Components in the PDB

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AGU : Summary

Code

AGU

One-letter code

X

Molecule name

AMINOGUANIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 hydrazinecarboximidamide
OpenEye OEToolkits 1.5.0 1-aminoguanidine

Formula

C H6 N4

Formal charge

0

Molecular weight

74.085 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [N@H]=C(N)NN
SMILES CACTVS 3.341 NNC(N)=N
SMILES OpenEye OEToolkits 1.5.0 C(=N)(N)NN
Canonical SMILES CACTVS 3.341 NNC(N)=N
Canonical SMILES OpenEye OEToolkits 1.5.0 C(=N)(N)NN

IUPAC InChI

InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)

IUPAC InChI key

HAMNKKUPIHEESI-UHFFFAOYSA-N
AGU

wwPDB Information

Atom count

11 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned