BMRB

Biological Magnetic Resonance Data Bank


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

Formaldehyde

Graphical representations:

Formaldehyde image

View large 3D structure

Molecular Formula: C H2 O

Natural Isotopic Abundance Mass: 30.0259800000

Mono-Isotopic Molecular Masses:

  • C12N14: 30.0105646863
  • C13N14: 31.0139195241
  • C12N15: 30.0105646863
  • C13N15: 31.0139195241

InChI String: InChI=1S/CH2O/c1-2/h1H2

canonical SMILES: C=O

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas
formaldehyde

IUPAC systematic
methanal

PubChem Substance (SID):   85165063   148516   3367
PubChem Compound (CID):   712
KEGG: Compound ID   C00067
CAS Registry IDs:   50-00-0   8005-38-7   112068-71-0   8013-13-6   8006-07-3
PDB Chemical Component   FLH
Miscellaneous Databases and IDs:   ChemIDplus 000050000   EINECS 200-001-8   Caswell No. 465   CCRIS 315   EPA Pesticide Chemical Code 043001   HSDB 164

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773