EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16211 - cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide

ChEBI IDCHEBI:16211
ChEBI Namecis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide
Stars
ASCII Namecis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide
DefinitionThe 2-chloro derivative of cis-4-carboxymethylenebut-2-en-1,4-olide.
Secondary ChEBI IDsCHEBI:10467, CHEBI:12794, CHEBI:23282
Last Modified1 October 2010
DownloadsMolfile
FormulaC6H3ClO4
Net Charge0
Average Mass174.539
Monoisotopic Mass173.97199
SMILESO=C(O)/C=C1\C=C(Cl)C(=O)O1
InChIInChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2+
InChIKeyADSGHWJRPOXXTD-NSCUHMNNSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:16211) has functional parent cis-4-carboxymethylenebut-2-en-4-olide (CHEBI:18371)
cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:16211) is a 2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:38122)
cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:16211) is a chlorodienelactone (CHEBI:23140)
cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:16211) is conjugate acid of cis-2-chloro-4-carboxylatomethylenebut-2-en-1,4-olide (CHEBI:57681)
Incoming Relation(s)
cis-2-chloro-4-carboxylatomethylenebut-2-en-1,4-olide (CHEBI:57681) is conjugate base of cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:16211)
IUPAC Name 
(2E)-[4-chloro-5-oxofuran-2(5H)-ylidene]acetic acid
Synonyms  Source
cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olideKEGG COMPOUND
cis-2-ChlorodienelactoneKEGG COMPOUND
Manual XrefsDatabases
C04706KEGG COMPOUND
C04706KEGG COMPOUND
c0293UM-BBD
Registry NumbersSources
Beilstein:1366698Beilstein
CAS:115793-61-8KEGG COMPOUND