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CHEBI:80587 - 2-oxosuberic acid

ChEBI IDCHEBI:80587
ChEBI Name2-oxosuberic acid
Stars
DefinitionAn oxo dicarboxylic acid that is suberic acid substituted by an oxo group at position 2.
Last Modified19 August 2021
DownloadsMolfile
FormulaC8H12O5
Net Charge0
Average Mass188.179
Monoisotopic Mass188.06847
SMILESO=C(O)CCCCCC(=O)C(=O)O
InChIInChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)
InChIKeyHAGOOZVJLSSXGZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-oxosuberic acid (CHEBI:80587) has functional parent suberic acid (CHEBI:9300)
2-oxosuberic acid (CHEBI:80587) is a oxo dicarboxylic acid (CHEBI:36145)
2-oxosuberic acid (CHEBI:80587) is conjugate acid of 2-oxosuberate(2−) (CHEBI:177882)
Incoming Relation(s)
2-oxosuberate(2−) (CHEBI:177882) is conjugate base of 2-oxosuberic acid (CHEBI:80587)
IUPAC Name 
2-oxooctanedioic acid
Synonyms  Source
α-ketosuberic acidChemIDplus
2-ketosuberic acidChEBI
2-oxosuberic acidChEBI
α-oxosuberic acidChEBI
Manual XrefsDatabases
C00000773KNApSAcK
C16589KEGG COMPOUND
129557ChemSpider
Registry NumbersSources
Reaxys:1778635Reaxys
CAS:96406-05-2ChemIDplus
Citations