EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:15357 - acetylenedicarboxylate(2−)

ChEBI IDCHEBI:15357
ChEBI Nameacetylenedicarboxylate(2−)
Stars
ASCII Nameacetylenedicarboxylate(2-)
DefinitionA dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of acetylenedicarboxylic acid.
Secondary ChEBI IDsCHEBI:13716, CHEBI:19487
Last Modified13 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4O4
Net Charge-2
Average Mass112.040
Monoisotopic Mass111.98076
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)/p-2
InChIKeyYTIVTFGABIZHHX-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
acetylenedicarboxylate(2−) (CHEBI:15357) is a C4-dicarboxylate (CHEBI:61336)
acetylenedicarboxylate(2−) (CHEBI:15357) is a dicarboxylic acid dianion (CHEBI:28965)
acetylenedicarboxylate(2−) (CHEBI:15357) is conjugate base of acetylenedicarboxylate(1−) (CHEBI:30782)
Incoming Relation(s)
acetylenedicarboxylate(1−) (CHEBI:30782) is conjugate acid of acetylenedicarboxylate(2−) (CHEBI:15357)
IUPAC Name 
but-2-ynedioate
Synonym  Source
2-butynedioateChEBI
UniProt Name  Source
acetylenedicarboxylateUniProt
Manual XrefsDatabases
C03248KEGG COMPOUND
Registry NumbersSources
Gmelin:325291Gmelin
Reaxys:3662972Reaxys