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CHEBI:30781 - butynedioic acid

ChEBI IDCHEBI:30781
ChEBI Namebutynedioic acid
Stars
DefinitionAn acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups.
Secondary ChEBI IDsCHEBI:2420, CHEBI:19488, CHEBI:22969
Last Modified9 December 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H2O4
Net Charge0
Average Mass114.056
Monoisotopic Mass113.99531
SMILESO=C(O)C#CC(=O)O
InChIInChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChIKeyYTIVTFGABIZHHX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
butynedioic acid (CHEBI:30781) is a acetylenic compound (CHEBI:73474)
butynedioic acid (CHEBI:30781) is a C4-dicarboxylic acid (CHEBI:66873)
butynedioic acid (CHEBI:30781) is conjugate acid of acetylenedicarboxylate(1−) (CHEBI:30782)
Incoming Relation(s)
cellocidin (CHEBI:51763) has functional parent butynedioic acid (CHEBI:30781)
acetylenedicarboxylate(1−) (CHEBI:30782) is conjugate base of butynedioic acid (CHEBI:30781)
IUPAC Name 
but-2-ynedioic acid
Synonyms  Source
2-Butynedioic acidKEGG COMPOUND
Acetylenedicarboxylic acidKEGG COMPOUND
Manual XrefsDatabases
Acetylenedicarboxylic_acidWikipedia
C03248KEGG COMPOUND
Registry NumbersSources
Gmelin:26624Gmelin
Reaxys:878357Reaxys
CAS:142-45-0NIST Chemistry WebBook
CAS:142-45-0KEGG COMPOUND
CAS:142-45-0ChemIDplus
Citations