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CHEBI:76282 - suberate(2−)

ChEBI IDCHEBI:76282
ChEBI Namesuberate(2−)
Stars
ASCII Namesuberate(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.
Last Modified16 September 2021
Submitterlaimo
DownloadsMolfile
FormulaC8H12O4
Net Charge-2
Average Mass172.180
Monoisotopic Mass172.07466
SMILESO=C([O-])CCCCCCC(=O)[O-]
InChIInChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2
InChIKeyTYFQFVWCELRYAO-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
suberate(2−) (CHEBI:76282) is a saturated dicarboxylic acid dianion(2−) (CHEBI:133291)
suberate(2−) (CHEBI:76282) is a suberate (CHEBI:132953)
suberate(2−) (CHEBI:76282) is conjugate base of suberic acid (CHEBI:9300)
Incoming Relation(s)
suberic acid (CHEBI:9300) is conjugate acid of suberate(2−) (CHEBI:76282)
IUPAC Name 
octanedioate
Synonyms  Source
C8-DCA(2−)SUBMITTER
octanedioate(2−)ChEBI
suberateChEBI
UniProt Name  Source
octanedioateUniProt
Manual XrefsDatabases
CPD0-1264MetaCyc
Registry NumbersSources
Reaxys:3905392Reaxys