Chemical Components in the PDB

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VGU : Summary

Code

VGU

One-letter code

X

Molecule name

N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
OpenEye OEToolkits 2.0.7 (~{N}~{E})-~{N}-[2-(oxidanylamino)-2-oxidanylidene-ethylidene]benzamide

Formula

C9 H8 N2 O3

Formal charge

0

Molecular weight

192.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(/N=C/C(=O)NO)c1ccccc1
SMILES CACTVS 3.385 ONC(=O)C=NC(=O)c1ccccc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C(=O)N=CC(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)C=NC(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C(=O)/N=C/C(=O)NO

IUPAC InChI

InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+

IUPAC InChI key

FOKIIJXZYLWKMI-UXBLZVDNSA-N
VGU

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned