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CHEBI:80516 - 3-Fluoro-cis,cis-muconate

Default Structure
ChEBI IDCHEBI:80516
ChEBI Name3-Fluoro-cis,cis-muconate
Stars
DownloadsMolfile
FormulaC6H5FO4
Net Charge0
Average Mass160.100
Monoisotopic Mass160.01719
SMILESO=C(O)/C=C\C(F)=C/C(=O)O
InChIInChI=1S/C6H5FO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+
InChIKeyOZSAECPLLVFZIE-BXTBVDPRSA-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)
3-Fluoro-cis,cis-muconate (CHEBI:80516) is a halo fatty acid (CHEBI:60692)
Manual XrefsDatabases
C16474KEGG COMPOUND