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CHEBI:84261 - isobutyric acid anhydride

ChEBI IDCHEBI:84261
ChEBI Nameisobutyric acid anhydride
Stars
DefinitionAn acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCC(C)C(=O)OC(=O)C(C)C
InChIInChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
InChIKeyLSACYLWPPQLVSM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
isobutyric acid anhydride (CHEBI:84261) has functional parent isobutyric acid (CHEBI:16135)
isobutyric acid anhydride (CHEBI:84261) has role human metabolite (CHEBI:77746)
isobutyric acid anhydride (CHEBI:84261) is a acyclic carboxylic anhydride (CHEBI:36631)
IUPAC Name 
2-methylpropanoic anhydride
Synonym  Source
isobutyric anhydrideChemIDplus
Registry NumbersSources
Reaxys:386267Reaxys
CAS:97-72-3ChemIDplus
Citations