CHEBI:17589 - 3-chloro-cis,cis-muconate(2−)

ChEBI IDCHEBI:17589
ChEBI Name3-chloro-cis,cis-muconate(2−)
Stars
ASCII Name3-chloro-cis,cis-muconate(2-)
Secondary ChEBI IDsCHEBI:11768, CHEBI:19980
Last Modified22 April 2015
DownloadsMolfile
FormulaC6H3ClO4
Net Charge-2
Average Mass174.539
Monoisotopic Mass173.97308
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)/p-2/b2-1-,4-3+
InChIKeyICMVYBXQDUXEEE-BXTBVDPRSA-L
ChEBI Ontology
Outgoing Relation(s)
3-chloro-cis,cis-muconate(2−) (CHEBI:17589) has functional parent cis,cis-muconate (CHEBI:32379)
3-chloro-cis,cis-muconate(2−) (CHEBI:17589) is a chlorocarboxylic acid anion (CHEBI:38411)
3-chloro-cis,cis-muconate(2−) (CHEBI:17589) is conjugate base of 3-chloro-cis,cis-muconic acid (CHEBI:1472)
Incoming Relation(s)
3-chloro-cis,cis-muconic acid (CHEBI:1472) is conjugate acid of 3-chloro-cis,cis-muconate(2−) (CHEBI:17589)
IUPAC Name 
(2E,4Z)-3-chlorohexa-2,4-dienedioate
UniProt Name  Source
3-chloro-cis,cis-muconateUniProt
Manual XrefsDatabases
c0297UM-BBD
Registry NumbersSources
Beilstein:3606608Beilstein