BMRB

Biological Magnetic Resonance Data Bank


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

Metaldehyde

Graphical representations:

metaldehyde image

Molecular Formula: C2 H4 O

Natural Isotopic Abundance Mass: 44.05256

Mono-Isotopic Molecular Masses:

  • C12N14: 44.0262147505
  • C13N14: 46.0329244261
  • C12N15: 44.0262147505
  • C13N15: 46.0329244261

InCHi String:

canonical and isomeric SMILES: CC=O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
acetaldehyde

PUBCHEM iupac SYSTEMATIC NAME
ethanal

PubChem Substance (SID):   111677786   85177152   8143150
PubChem Compound (CID):   177
KEGG: Compound ID   C00084
CAS Registry IDs:   75-07-0
PDB Chemical Component   ACU   MCB
Miscellaneous Databases and IDs:   Sigma-Aldrich 36611_RIEDEL   ChEBI CHEBI:15343   EPA DSSTox 30609   BioCyc ACETALD   UM-BBD c0160   ChemSpider 13876142   MMDB 76460.30   NMRShiftDB 10016744   MMCD cq_XXXXX   MDL MFCD00134115

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.