CHEBI:28558 - 2,5-dichloro-cis,cis-muconic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,5-dichloro-cis,cis-muconic acid
ChEBI ID CHEBI:28558
ChEBI ASCII Name 2,5-dichloro-cis,cis-muconic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:931
Supplier Information
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Formula C6H4Cl2O4
Net Charge 0
Average Mass 210.99896
Monoisotopic Mass 209.94866
InChI InChI=1S/C6H4Cl2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-1+,4-2+
InChIKey HECLTTZJJYETPR-ZPUQHVIOSA-N
SMILES OC(=O)C(\Cl)=C/C=C(/Cl)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 2,5-dichloro-cis,cis-muconic acid (CHEBI:28558) has functional parent cis,cis-muconic acid (CHEBI:16508)
2,5-dichloro-cis,cis-muconic acid (CHEBI:28558) is a 2,5-dichloromuconic acid (CHEBI:38421)
IUPAC Name
(2E,4E)-2,5-dichlorohexa-2,4-dienedioic acid
Synonym Source
2,5-Dichloro-cis,cis-muconate KEGG COMPOUND
Manual Xref Database
C07095 KEGG COMPOUND
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Last Modified
05 June 2007