Chemical Components in the PDB

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NGQ : Summary

Code

NGQ

One-letter code

X

Molecule name

N-carbamimidoyl-L-glutamic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 N-carbamimidoyl-L-glutamic acid
OpenEye OEToolkits 1.7.0 (2S)-2-carbamimidamidopentanedioic acid

Formula

C6 H11 N3 O4

Formal charge

0

Molecular weight

189.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(NC(=[N@H])N)CCC(=O)O
SMILES CACTVS 3.370 NC(=N)N[CH](CCC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CC(=O)O)C(C(=O)O)NC(=N)N
Canonical SMILES CACTVS 3.370 NC(=N)N[C@@H](CCC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 [H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1

IUPAC InChI key

RHVVRMJOHATSPD-VKHMYHEASA-N
NGQ

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-04-12

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned