Chemical Components in the PDB

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NMG : Summary

Code

NMG

One-letter code

X

Molecule name

GUANIDINO ACETATE

Synonyms

N-[AMINO(IMINO)METHYL]GLYCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-carbamimidoylglycine
OpenEye OEToolkits 1.5.0 2-carbamimidamidoethanoic acid

Formula

C3 H7 N3 O2

Formal charge

0

Molecular weight

117.107 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CNC(=[N@H])N
SMILES CACTVS 3.341 NC(=N)NCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 [H]N=C(N)NCC(=O)O
Canonical SMILES CACTVS 3.341 NC(=N)NCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(/N)\NCC(=O)O

IUPAC InChI

InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)

IUPAC InChI key

BPMFZUMJYQTVII-UHFFFAOYSA-N
NMG

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-09-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned