CHEBI:70747 - heptylmalonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name heptylmalonic acid
ChEBI ID CHEBI:70747
Definition A dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H18O4
Net Charge 0
Average Mass 202.24750
Monoisotopic Mass 202.12051
InChI InChI=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)
InChIKey YSFZWUJOBANROZ-UHFFFAOYSA-N
SMILES CCCCCCCC(C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-heptylmalonic acid ChEBI
2-heptylpropanedioic acid ChEBI
n-Heptylmalonic acid ChemIDplus
Registry Numbers Types Sources
1777731 Reaxys Registry Number Reaxys
760-54-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
08 November 2012