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CHEBI:17968 - butyrate

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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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