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CHEBI:37259 - 3-oxopimelic acid

ChEBI IDCHEBI:37259
ChEBI Name3-oxopimelic acid
Stars
DefinitionAn oxo dicarboxylic acid consisting of pimelic acid having a single oxo group at the 3-position.
Last Modified14 March 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H10O5
Net Charge0
Average Mass174.152
Monoisotopic Mass174.05282
SMILESO=C(O)CCCC(=O)CC(=O)O
InChIInChI=1S/C7H10O5/c8-5(4-7(11)12)2-1-3-6(9)10/h1-4H2,(H,9,10)(H,11,12)
InChIKeyIYNRULSFFKEOLT-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)
3-oxopimelic acid (CHEBI:37259) has functional parent pimelic acid (CHEBI:30531)
3-oxopimelic acid (CHEBI:37259) is a oxo dicarboxylic acid (CHEBI:36145)
Incoming Relation(s)
3-oxopimeloyl-CoA (CHEBI:15492) has functional parent 3-oxopimelic acid (CHEBI:37259)
IUPAC Name 
3-oxoheptanedioic acid
Synonym  Source
3-Ketoheptanedioic acidChemIDplus
Registry NumbersSources
Reaxys:1777790Reaxys
CAS:1608-78-2ChemIDplus