Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

AXO : Summary

Code

AXO

One-letter code

X

Molecule name

(1E)-N-hydroxyethanimine

Synonyms

Acetaldoxime

Systematic names

ProgramVersionName
ACDLabs 12.01 (1E)-N-hydroxyethanimine
OpenEye OEToolkits 1.7.6 (NE)-N-ethylidenehydroxylamine

Formula

C2 H5 N O

Formal charge

0

Molecular weight

59.067 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(/O)=C\C
SMILES CACTVS 3.385 CC=NO
SMILES OpenEye OEToolkits 1.7.6 CC=NO
Canonical SMILES CACTVS 3.385 C/C=N/O
Canonical SMILES OpenEye OEToolkits 1.7.6 C/C=N/O

IUPAC InChI

InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+

IUPAC InChI key

FZENGILVLUJGJX-NSCUHMNNSA-N
AXO

wwPDB Information

Atom count

9 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-08-07

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned