CHEBI:87587 - 3-methylsuccinic anhydride

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ChEBI Name 3-methylsuccinic anhydride
ChEBI ID CHEBI:87587
Definition A tetrahydrofurandione that is succinic anhydride substituted by a methyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H6O3
Net Charge 0
Average Mass 114.09930
Monoisotopic Mass 114.03169
InChI InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3
InChIKey DFATXMYLKPCSCX-UHFFFAOYSA-N
SMILES CC1CC(=O)OC1=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
methylsuccinic anhydride ChEBI
Pyrotartaric anhydride NIST Chemistry WebBook
Registry Numbers Types Sources
4100-80-5 CAS Registry Number NIST Chemistry WebBook
4100-80-5 CAS Registry Number ChemIDplus
80816 Reaxys Registry Number Reaxys
Last Modified
01 September 2015