CHEBI:30781 - butynedioic acid

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ChEBI Name butynedioic acid
ChEBI ID CHEBI:30781
Definition An acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22969, CHEBI:2420, CHEBI:19488
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Formula C4H2O4
Net Charge 0
Average Mass 114.05628
Monoisotopic Mass 113.99531
InChI InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChIKey YTIVTFGABIZHHX-UHFFFAOYSA-N
SMILES OC(=O)C#CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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 Sources
2-Butynedioic acid KEGG COMPOUND
Acetylenedicarboxylic acid KEGG COMPOUND
acetylenedicarboxylic acid UniProt
Manual Xrefs Databases
Acetylenedicarboxylic_acid Wikipedia
C03248 KEGG COMPOUND
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Registry Numbers Types Sources
142-45-0 CAS Registry Number KEGG COMPOUND
142-45-0 CAS Registry Number NIST Chemistry WebBook
142-45-0 CAS Registry Number ChemIDplus
26624 Gmelin Registry Number Gmelin
878357 Reaxys Registry Number Reaxys
878357 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10843633 PubMed citation Europe PMC
12978816 PubMed citation Europe PMC
Last Modified
16 July 2015