EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38122 - 2-chloro-4-carboxymethylenebut-2-en-1,4-olide

ChEBI IDCHEBI:38122
ChEBI Name2-chloro-4-carboxymethylenebut-2-en-1,4-olide
Stars
Last Modified4 September 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H3ClO4
Net Charge0
Average Mass174.539
Monoisotopic Mass173.97199
SMILES[H]C(C(=O)O)=C1C=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)
InChIKeyADSGHWJRPOXXTD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:38122) is a butenolide (CHEBI:50523)
Incoming Relation(s)
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)
trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:16773) is a 2-chloro-4-carboxymethylenebut-2-en-1,4-olide (CHEBI:38122)
IUPAC Name 
(4-chloro-5-oxofuran-2(5H)-ylidene)acetic acid