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CHEBI:1472 - 3-chloro-cis,cis-muconic acid

ChEBI IDCHEBI:1472
ChEBI Name3-chloro-cis,cis-muconic acid
Stars
ASCII Name3-chloro-cis,cis-muconic acid
DefinitionA 3-chloromuconic acid that is cis,cis-muconic acid substituted by a chloro substituent at position 3.
Last Modified2 February 2015
DownloadsMolfile
FormulaC6H5ClO4
Net Charge0
Average Mass176.555
Monoisotopic Mass175.98764
SMILESO=C(O)/C=C\C(Cl)=C/C(=O)O
InChIInChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+
InChIKeyICMVYBXQDUXEEE-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-chloro-cis,cis-muconic acid (CHEBI:1472) has functional parent cis,cis-muconic acid (CHEBI:16508)
3-chloro-cis,cis-muconic acid (CHEBI:1472) is a 3-chloromuconic acid (CHEBI:38428)
3-chloro-cis,cis-muconic acid (CHEBI:1472) is conjugate acid of 3-chloro-cis,cis-muconate(2−) (CHEBI:17589)
Incoming Relation(s)
3-chloro-cis,cis-muconate(2−) (CHEBI:17589) is conjugate base of 3-chloro-cis,cis-muconic acid (CHEBI:1472)
IUPAC Name 
(2E,4Z)-3-chlorohexa-2,4-dienedioic acid
Synonyms  Source
3-Chloro-cis,cis-muconateKEGG COMPOUND
(E,Z)-3-chloro-2,4-hexadienedioic acidChemIDplus
Manual XrefsDatabases
C03585KEGG COMPOUND
Registry NumbersSources
Reaxys:2082660Reaxys
CAS:22752-96-1KEGG COMPOUND
CAS:22752-96-1ChemIDplus