EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177882 - 2-oxosuberate(2−)

ChEBI IDCHEBI:177882
ChEBI Name2-oxosuberate(2−)
Stars
ASCII Name2-oxosuberate(2-)
DefinitionAn oxo dicarboxylic acid dianion that is the conjugate base of 2-oxosuberic acid resulting from the deprotonation of the two carboxy groups. Major microspecies at pH 7.3.
Last Modified19 August 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC8H10O5
Net Charge-2
Average Mass186.163
Monoisotopic Mass186.05392
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)/p-2
InChIKeyHAGOOZVJLSSXGZ-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Methanothermobacter thermautotrophicus str. Delta H (ncbitaxon:187420) - PubMed (2495771)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-oxosuberate(2−) (CHEBI:177882) has role bacterial metabolite (CHEBI:76969)
2-oxosuberate(2−) (CHEBI:177882) is a oxo dicarboxylic acid dianion (CHEBI:133294)
2-oxosuberate(2−) (CHEBI:177882) is conjugate base of 2-oxosuberic acid (CHEBI:80587)
Incoming Relation(s)
2-oxosuberic acid (CHEBI:80587) is conjugate acid of 2-oxosuberate(2−) (CHEBI:177882)
IUPAC Name 
2-oxooctanedioate
Synonyms  Source
α-ketosuberateMetaCyc
2-oxosuberate dianionChEBI
2-oxooctanedioic acid dianionChEBI
UniProt Name  Source
2-oxosuberateUniProt
Manual XrefsDatabases
CPD-337MetaCyc
Citations