Chemical Components in the PDB

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NFQ : Summary

Code

NFQ

One-letter code

X

Molecule name

N-[(E)-iminomethyl]-L-aspartic acid

Synonyms

N-formimino-L-Aspartate

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(E)-iminomethyl]-L-aspartic acid
OpenEye OEToolkits 1.7.0 (2S)-2-methanimidamidobutanedioic acid

Formula

C5 H8 N2 O4

Formal charge

0

Molecular weight

160.128 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1

IUPAC InChI key

XTPIFIMCFHNJOH-VKHMYHEASA-N
NFQ

wwPDB Information

Atom count

19 (11 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

2020-06-17

Status

Released

Obsoleted

Not Assigned