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

ChEBI IDCHEBI:87585
ChEBI Name(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid
Stars
DefinitionA 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.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCCCCCCC1=C(CC(=O)O)C(=O)OC1=O
InChIInChI=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)
InChIKeyUMHSTRUKUXAWBA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
(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 anhydrideChEBI
Registry NumbersSources
Reaxys:1430092Reaxys