CHEBI:35020 - tributyrin

ChEBI IDCHEBI:35020
ChEBI Nametributyrin
Stars
DefinitionA triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid.
Last Modified26 August 2015
DownloadsMolfile
FormulaC15H26O6
Net Charge0
Average Mass302.367
Monoisotopic Mass302.17294
SMILESCCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
InChIInChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
InChIKeyUYXTWWCETRIEDR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
protective agent  Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
tributyrin (CHEBI:35020) has functional parent butyric acid (CHEBI:30772)
tributyrin (CHEBI:35020) has role antineoplastic agent (CHEBI:35610)
tributyrin (CHEBI:35020) has role apoptosis inducer (CHEBI:68495)
tributyrin (CHEBI:35020) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
tributyrin (CHEBI:35020) has role prodrug (CHEBI:50266)
tributyrin (CHEBI:35020) has role protective agent (CHEBI:50267)
tributyrin (CHEBI:35020) is a butyrate ester (CHEBI:50477)
tributyrin (CHEBI:35020) is a triglyceride (CHEBI:17855)
IUPAC Name 
propane-1,2,3-triyl tributanoate
Synonyms  Source
1,2,3-Propanetriol, tributyrateHMDB
1,2,3-Propanetriyl tributanoateChemIDplus
1,2,3-TributyrylglycerolHMDB
2,3-Bis(butyryloxy)propyl butyrateHMDB
Butanoic acid, 1,2,3-propanetriyl esterChemIDplus
ButyrinChemIDplus
UniProt Name  Source
1,2,3-tributanoylglycerolUniProt
Manual XrefsDatabases
ButyrinWikipedia
C13870KEGG COMPOUND
CPD-13014MetaCyc
HMDB0031094HMDB
Registry NumbersSources
Reaxys:1714746Reaxys
CAS:60-01-5KEGG COMPOUND
CAS:60-01-5ChemIDplus
CAS:60-01-5NIST Chemistry WebBook
Citations