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CHEBI:17968 - butyrate

Default Structure
ChEBI IDCHEBI:17968
ChEBI Namebutyrate
Stars
DefinitionA short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:13924, CHEBI:22946
Last Modified2 July 2014
DownloadsMolfile
FormulaC4H7O2
Net Charge-1
Average Mass87.098
Monoisotopic Mass87.04515
SMILESCCCC(=O)[O-]
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
ChEBI Ontology
Outgoing Relation(s)
butyrate (CHEBI:17968) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
butyrate (CHEBI:17968) has role human metabolite (CHEBI:77746)
butyrate (CHEBI:17968) has role metabolite (CHEBI:25212)
butyrate (CHEBI:17968) is a fatty acid anion 4:0 (CHEBI:78115)
butyrate (CHEBI:17968) is conjugate base of butyric acid (CHEBI:30772)
Incoming Relation(s)
(R)-2-hydroxy-4-(hydroxymethylphosphinyl)butyrate (CHEBI:55547) has functional parent butyrate (CHEBI:17968)
(R)-3-[(R)-3-hydroxybutanoyloxy]butanoate (CHEBI:10979) has functional parent butyrate (CHEBI:17968)
(S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) has functional parent butyrate (CHEBI:17968)
O-butyryl-L-serine residue (CHEBI:177287) has functional parent butyrate (CHEBI:17968)
L-2-amino-3-oxobutanoate (CHEBI:16944) has functional parent butyrate (CHEBI:17968)
L-2-aminobutyrate (CHEBI:28340) has functional parent butyrate (CHEBI:17968)
L-2,4-diaminobutyrate (CHEBI:16028) has functional parent butyrate (CHEBI:17968)
2-hydroxybutyrate (CHEBI:64552) has functional parent butyrate (CHEBI:17968)
2-methyl-3-hydroxybutyrate (CHEBI:78554) has functional parent butyrate (CHEBI:17968)
2-methylacetoacetate (CHEBI:19680) has functional parent butyrate (CHEBI:17968)
2-oxobutanoate (CHEBI:16763) has functional parent butyrate (CHEBI:17968)
2,3-dihydroxy-3-methylbutanoate (CHEBI:11424) has functional parent butyrate (CHEBI:17968)
3-hydroxybutyrate (CHEBI:37054) has functional parent butyrate (CHEBI:17968)
3-methyl-2-oxobutanoate (CHEBI:11851) has functional parent butyrate (CHEBI:17968)
4-(hydroxymethylphosphinyl)-2-oxobutyrate (CHEBI:55527) has functional parent butyrate (CHEBI:17968)
4-(methylamino)butyrate (CHEBI:20441) has functional parent butyrate (CHEBI:17968)
4-acetamidobutanoate (CHEBI:11951) has functional parent butyrate (CHEBI:17968)
4-amino-3-hydroxybutanoate (CHEBI:11955) has functional parent butyrate (CHEBI:17968)
4-hydroxybutyrate (CHEBI:16724) has functional parent butyrate (CHEBI:17968)
4-methylthio-2-oxobutanoate (CHEBI:16723) has functional parent butyrate (CHEBI:17968)
acetoacetate (CHEBI:13705) has functional parent butyrate (CHEBI:17968)
carnitine (CHEBI:17126) has functional parent butyrate (CHEBI:17968)
cholesteryl butyrate (CHEBI:746898) has functional parent butyrate (CHEBI:17968)
γ-aminobutyrate (CHEBI:30566) has functional parent butyrate (CHEBI:17968)
sodium butyrate (CHEBI:64103) has part butyrate (CHEBI:17968)
(3R)-4-(dimethylammonio)-3-hydroxybutanoate (CHEBI:183234) is a butyrate (CHEBI:17968)
butyric acid (CHEBI:30772) is conjugate acid of butyrate (CHEBI:17968)
IUPAC Name 
butanoate
Synonyms  Source
1-butanoateChEBI
1-butyrateChEBI
1-propanecarboxylateChEBI
butanateChEBI
butanoateChEBI
butanoic acid, ion(1−)ChemIDplus
UniProt Name  Source
butanoateUniProt
Manual XrefsDatabases
BUTYRIC_ACIDMetaCyc
C00246KEGG COMPOUND
c0035UM-BBD
Registry NumbersSources
Gmelin:324289Gmelin
Reaxys:3601060Reaxys
CAS:461-55-2ChemIDplus
Citations