EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:57706 - 4-oxobutanoate

ChEBI IDCHEBI:57706
ChEBI Name4-oxobutanoate
Stars
DefinitionThe conjugate base of 4-oxobutanoic acid; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC4H5O3
Net Charge-1
Average Mass101.081
Monoisotopic Mass101.02442
SMILESO=CCCC(=O)[O-]
InChIInChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1
InChIKeyUIUJIQZEACWQSV-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
4-oxobutanoate (CHEBI:57706) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-oxobutanoate (CHEBI:57706) has role human metabolite (CHEBI:77746)
4-oxobutanoate (CHEBI:57706) is a 4-oxo monocarboxylic acid anion (CHEBI:35974)
4-oxobutanoate (CHEBI:57706) is a aldehydic acid anion (CHEBI:71944)
4-oxobutanoate (CHEBI:57706) is conjugate base of succinic semialdehyde (CHEBI:16265)
Incoming Relation(s)
succinic semialdehyde (CHEBI:16265) is conjugate acid of 4-oxobutanoate (CHEBI:57706)
IUPAC Name 
4-oxobutanoate
Synonym  Source
succinate semialdehydeChEBI
UniProt Name  Source
succinate semialdehydeUniProt