EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72700 - 2-oxopimelic acid

Default Structure
ChEBI IDCHEBI:72700
ChEBI Name2-oxopimelic acid
Stars
DefinitionAn oxo dicarboxylic acid that is pimelic acid carrying a single oxo substituent at position 2.
Last Modified8 July 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H10O5
Net Charge0
Average Mass174.152
Monoisotopic Mass174.05282
SMILESO=C(O)CCCCC(=O)C(=O)O
InChIInChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
InChIKeyHABHUTWTLGRDDU-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-oxopimelic acid (CHEBI:72700) has functional parent pimelic acid (CHEBI:30531)
2-oxopimelic acid (CHEBI:72700) is a oxo dicarboxylic acid (CHEBI:36145)
2-oxopimelic acid (CHEBI:72700) is conjugate acid of 2-oxopimelate(2−) (CHEBI:72701)
Incoming Relation(s)
2-oxopimelate(2−) (CHEBI:72701) is conjugate base of 2-oxopimelic acid (CHEBI:72700)
IUPAC Name 
2-oxoheptanedionic acid
Synonyms  Source
2-ketoheptanedionic acidChEBI
2-ketopimelic acidChEBI
2-Oxoheptanedionic acidKEGG COMPOUND
alpha-KetopimelateKEGG COMPOUND
α-ketoheptanedionic acidChEBI
α-ketopimelic acidSUBMITTER
Manual XrefsDatabases
C00000771KNApSAcK
C16588KEGG COMPOUND
CPD-291MetaCyc
Registry NumbersSources
Reaxys:1773648Reaxys
CAS:17126-90-8ChemIDplus
Citations