CHEBI:87585 - (4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid

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ChEBI Name (4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid
ChEBI ID CHEBI:87585
Definition A cyclic dicarboxylic anhydride that is furan-2,5-dione substituted by at position 3 by a carboxymethyl group and a hexyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H16O5
Net Charge 0
Average Mass 240.25240
Monoisotopic Mass 240.09977
InChI InChI=1S/C12H16O5/c1-2-3-4-5-6-8-9(7-10(13)14)12(16)17-11(8)15/h2-7H2,1H3,(H,13,14)
InChIKey UMHSTRUKUXAWBA-UHFFFAOYSA-N
SMILES CCCCCCC1=C(CC(O)=O)C(=O)OC1=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid (CHEBI:87585) has role metabolite (CHEBI:25212)
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid (CHEBI:87585) is a cyclic dicarboxylic anhydride (CHEBI:36609)
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid (CHEBI:87585) is a dioxo monocarboxylic acid (CHEBI:35951)
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid (CHEBI:87585) is a furans (CHEBI:24129)
IUPAC Name
(4-hexyl-2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid
Synonym Source
2-carboxymethyl-3-hexylmaleic acid anhydride ChEBI
Registry Number Type Source
1430092 Reaxys Registry Number Reaxys
Last Modified
20 August 2015