Chemical Components in the PDB

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NWG : Summary

Code

NWG

One-letter code

X

Molecule name

5-[(diaminomethylidene)amino]-2-oxopentanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 5-[(diaminomethylidene)amino]-2-oxopentanoic acid
OpenEye OEToolkits 2.0.7 5-[bis(azanyl)methylideneamino]-2-oxidanylidene-pentanoic acid

Formula

C6 H11 N3 O3

Formal charge

0

Molecular weight

173.17 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(C(O)=O)CCC\N=C(/N)N
SMILES CACTVS 3.385 NC(N)=NCCCC(=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)C(=O)O)CN=C(N)N
Canonical SMILES CACTVS 3.385 NC(N)=NCCCC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)C(=O)O)CN=C(N)N

IUPAC InChI

InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)

IUPAC InChI key

ARBHXJXXVVHMET-UHFFFAOYSA-N
NWG

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-29

Last modified at

2020-05-22

Status

Released

Obsoleted

Not Assigned