CHEBI:27895 - 2-chloro-cis,cis-muconic acid

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ChEBI Name 2-chloro-cis,cis-muconic acid
ChEBI ID CHEBI:27895
ChEBI ASCII Name 2-chloro-cis,cis-muconic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1042
Supplier Information
Download Molfile XML SDF
Formula C6H5ClO4
Net Charge 0
Average Mass 176.55420
Monoisotopic Mass 175.98764
InChI InChI=1S/C6H5ClO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1-,4-2+
InChIKey OZNNVVBQWHRHHH-HSFFGMMNSA-N
SMILES OC(=O)\C=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-chloro-cis,cis-muconic acid (CHEBI:27895) has functional parent cis,cis-muconic acid (CHEBI:16508)
2-chloro-cis,cis-muconic acid (CHEBI:27895) is a 2-chloromuconic acid (CHEBI:38434)
2-chloro-cis,cis-muconic acid (CHEBI:27895) is conjugate acid of 2-chloro-cis,cis-muconate(2−) (CHEBI:19504)
Incoming 2-chloro-cis,cis-muconate(2−) (CHEBI:19504) is conjugate base of 2-chloro-cis,cis-muconic acid (CHEBI:27895)
IUPAC Name
(2E,4Z)-2-chlorohexa-2,4-dienedioic acid
Synonym Source
2-Chloro-cis,cis-muconate KEGG COMPOUND
Manual Xref Database
C03572 KEGG COMPOUND
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Registry Number Type Source
1724076 Beilstein Registry Number Beilstein
Last Modified
06 June 2007