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

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ChEBI Name 3-chloro-cis,cis-muconic acid ChEBI ID CHEBI:1472 ChEBI ASCII Name 3-chloro-cis,cis-muconic acid Definition A 3-chloromuconic acid that is cis,cis-muconic acid substituted by a chloro substituent at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H5ClO4 Net Charge 0 Average Mass 176.55420 Monoisotopic Mass 175.98764 InChI InChI=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+ InChIKey ICMVYBXQDUXEEE-BXTBVDPRSA-N SMILES OC(=O)\C=C/C(Cl)=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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (E,Z)-3-chloro-2,4-hexadienedioic acid ChemIDplus 3-Chloro-cis,cis-muconate KEGG COMPOUND Manual Xref Database C03585 KEGG COMPOUND View more database links Registry Numbers Types Sources 2082660 Beilstein Registry Number Beilstein 2082660 Reaxys Registry Number Reaxys 22752-96-1 CAS Registry Number ChemIDplus Last Modified 02 February 2015