CHEBI:87587 - 3-methylsuccinic anhydride

ChEBI IDCHEBI:87587
ChEBI Name3-methylsuccinic anhydride
Stars
DefinitionA tetrahydrofurandione that is succinic anhydride substituted by a methyl group at position 3.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC5H6O3
Net Charge0
Average Mass114.100
Monoisotopic Mass114.03169
SMILESCC1CC(=O)OC1=O
InChIInChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3
InChIKeyDFATXMYLKPCSCX-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methylsuccinic anhydride (CHEBI:87587) has functional parent succinic anhydride (CHEBI:36595)
3-methylsuccinic anhydride (CHEBI:87587) has role metabolite (CHEBI:25212)
3-methylsuccinic anhydride (CHEBI:87587) is a cyclic dicarboxylic anhydride (CHEBI:36609)
3-methylsuccinic anhydride (CHEBI:87587) is a tetrahydrofurandione (CHEBI:47022)
IUPAC Name 
3-methyloxolane-2,5-dione
Synonyms  Source
Pyrotartaric anhydrideNIST Chemistry WebBook
methylsuccinic anhydrideChEBI
Registry NumbersSources
Reaxys:80816Reaxys
CAS:4100-80-5ChemIDplus
CAS:4100-80-5NIST Chemistry WebBook