BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Acetaldehyde oxime mixture of syn and anti

Graphical representations:

Acetaldehyde oxime mixture of syn and anti image

Molecular Formula: C2 H5 N O

Natural Isotopic Abundance Mass: 59.0672

Mono-Isotopic Molecular Masses:

  • C12N14: 59.0371137878
  • C13N14: 61.0438234634
  • C12N15: 60.034148681
  • C13N15: 62.0408583566

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

canonical SMILES: CC=NO

isomeric SMILES: C\C=N\O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(NE)-N-ethylidenehydroxylamine

PUBCHEM iupac TRADITIONAL NAME
acetaldoxime

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
acetaldehyde oxime

PubChem Substance (SID):   85165254   8144340   589835
PubChem Compound (CID):   5324279
KEGG: Compound ID   C02658
CAS Registry IDs:   107-29-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 00150_FLUKA   ChEBI CHEBI:28465   HSDB 2662   ChemIDplus 000107299   ChemSpider 4481813   EINECS 203-479-6   CCRIS 1379   NMRShiftDB 10017039   EPA DSSTox 4   Beilstein Handbook Reference 4-01-00-03121   NIST Chemistry WebBook 3916562792

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.