EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:15343 - acetaldehyde

ChEBI IDCHEBI:15343
ChEBI Nameacetaldehyde
Stars
DefinitionThe aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.
Secondary ChEBI IDsCHEBI:2383, CHEBI:13703, CHEBI:22158, CHEBI:40533
Last Modified20 November 2019
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC2H4O
Net Charge0
Average Mass44.053
Monoisotopic Mass44.02621
SMILES[H]C(C)=O
InChIInChI=1S/C2H4O/c1-2-3/h2H,1H3
InChIKeyIKHGUXGNUITLKF-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
acetaldehyde
Synonyms  Source
AcetaldehydeKEGG COMPOUND
EthanalKEGG COMPOUND
acetaldehydesChEBI
acetic aldehydeNIST Chemistry WebBook
ethyl aldehydeNIST Chemistry WebBook
ACETALDEHYDEPDBeChem
UniProt Name  Source
acetaldehydeUniProt
Manual XrefsDatabases
C00084KEGG COMPOUND
c0160UM-BBD
HMDB0000990HMDB
AcetaldehydeWikipedia
C00007392KNApSAcK
LSM-37193LINCS
ACEPDBeChem
Registry NumbersSources
Gmelin:779Gmelin
Reaxys:505984Reaxys
CAS:75-07-0KEGG COMPOUND
CAS:75-07-0NIST Chemistry WebBook
CAS:75-07-0ChemIDplus
Citations