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CHEBI:70747 - heptylmalonic acid

ChEBI IDCHEBI:70747
ChEBI Nameheptylmalonic acid
Stars
DefinitionA dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2.
Last Modified8 November 2012
Submittermwilliams
DownloadsMolfile
FormulaC10H18O4
Net Charge0
Average Mass202.250
Monoisotopic Mass202.12051
SMILESCCCCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyYSFZWUJOBANROZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
heptylmalonic acid (CHEBI:70747) has functional parent malonic acid (CHEBI:30794)
heptylmalonic acid (CHEBI:70747) has role metabolite (CHEBI:25212)
heptylmalonic acid (CHEBI:70747) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
heptylpropanedioic acid
Synonyms  Source
2-heptylmalonic acidChEBI
2-heptylpropanedioic acidChEBI
n-Heptylmalonic acidChemIDplus
Registry NumbersSources
Reaxys:1777731Reaxys
CAS:760-54-3ChemIDplus
Citations