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CHEBI:30907 - 4-fumarylacetoacetic acid

ChEBI IDCHEBI:30907
ChEBI Name4-fumarylacetoacetic acid
Stars
Secondary ChEBI IDsCHEBI:1830, CHEBI:20369
Last Modified24 February 2022
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H8O6
Net Charge0
Average Mass200.146
Monoisotopic Mass200.03209
SMILESO=C(O)/C=C/C(=O)CC(=O)CC(=O)O
InChIInChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+
InChIKeyGACSIVHAIFQKTC-OWOJBTEDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-fumarylacetoacetic acid (CHEBI:30907) has functional parent oct-2-enedioic acid (CHEBI:36279)
4-fumarylacetoacetic acid (CHEBI:30907) is a dicarboxylic fatty acid (CHEBI:189840)
4-fumarylacetoacetic acid (CHEBI:30907) is a oxo dicarboxylic acid (CHEBI:36145)
4-fumarylacetoacetic acid (CHEBI:30907) is a β-diketone (CHEBI:67265)
4-fumarylacetoacetic acid (CHEBI:30907) is conjugate acid of 4-fumarylacetoacetate(2−) (CHEBI:18034)
Incoming Relation(s)
4-fumarylacetoacetate(2−) (CHEBI:18034) is conjugate base of 4-fumarylacetoacetic acid (CHEBI:30907)
IUPAC Name 
(2E)-4,6-dioxooct-2-enedioic acid
Synonyms  Source
4-Fumarylacetoacetic acidKEGG COMPOUND
FumarylacetoacetoneChemIDplus
Manual XrefsDatabases
C01061KEGG COMPOUND
C00007599KNApSAcK
Registry NumbersSources
Beilstein:1726101Beilstein
CAS:28613-33-4KEGG COMPOUND
CAS:28613-33-4ChemIDplus