CHEBI:30907 - 4-fumarylacetoacetic acid

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ChEBI Name 4-fumarylacetoacetic acid
ChEBI ID CHEBI:30907
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20369, CHEBI:1830
Supplier Information
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Formula C8H8O6
Net Charge 0
Average Mass 200.14552
Monoisotopic Mass 200.03209
InChI InChI=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+
InChIKey GACSIVHAIFQKTC-OWOJBTEDSA-N
SMILES OC(=O)CC(=O)CC(=O)\C=C\C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-fumarylacetoacetic acid (CHEBI:30907) has functional parent oct-2-enedioic acid (CHEBI:36279)
4-fumarylacetoacetic acid (CHEBI:30907) is a β-diketone (CHEBI:67265)
4-fumarylacetoacetic acid (CHEBI:30907) is a oxo dicarboxylic acid (CHEBI:36145)
4-fumarylacetoacetic acid (CHEBI:30907) is conjugate acid of 4-fumarylacetoacetate(2−) (CHEBI:18034)
Incoming 4-fumarylacetoacetate(2−) (CHEBI:18034) is conjugate base of 4-fumarylacetoacetic acid (CHEBI:30907)
IUPAC Name
(2E)-4,6-dioxooct-2-enedioic acid
Synonyms Sources
4-Fumarylacetoacetic acid KEGG COMPOUND
Fumarylacetoacetone ChemIDplus
Manual Xrefs Databases
C00007599 KNApSAcK
C01061 KEGG COMPOUND
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Registry Numbers Types Sources
1726101 Beilstein Registry Number Beilstein
28613-33-4 CAS Registry Number KEGG COMPOUND
28613-33-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014