Chemical Components in the PDB

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NIG : Summary

Code

NIG

One-letter code

X

Molecule name

N-(IMINOMETHYL)-L-GLUTAMIC ACID

Synonyms

N-FORMIMINO-L-GLUTAMATE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(Z)-iminomethyl]-L-glutamic acid
OpenEye OEToolkits 1.5.0 (2S)-2-methanimidamidopentanedioic acid

Formula

C6 H10 N2 O4

Formal charge

0

Molecular weight

174.155 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1

IUPAC InChI key

NRXIKWMTVXPVEF-BYPYZUCNSA-N
NIG

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-05-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned