Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

VQO : Summary

Code

VQO

One-letter code

X

Molecule name

methanimidate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 methanimidate

Formula

C H2 N O

Formal charge

-1

Molecular weight

44.033 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [O-]C=N
SMILES OpenEye OEToolkits 2.0.7 C(=N)[O-]
Canonical SMILES CACTVS 3.385 [O-]C=N
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C\[O-]

IUPAC InChI

InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1

IUPAC InChI key

ZHNUHDYFZUAESO-UHFFFAOYSA-M
VQO

wwPDB Information

Atom count

5 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-04

Last modified at

2023-12-08

Status

Released

Obsoleted

Not Assigned