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CHEBI:68453 - 2-ethyloctanedioic acid

ChEBI IDCHEBI:68453
ChEBI Name2-ethyloctanedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.
Last Modified24 October 2012
Submittermwilliams
DownloadsMolfile
FormulaC10H18O4
Net Charge0
Average Mass202.250
Monoisotopic Mass202.12051
SMILESCCC(CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyWUDDSDIHJHPJRP-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)
2-ethyloctanedioic acid (CHEBI:68453) has functional parent suberic acid (CHEBI:9300)
2-ethyloctanedioic acid (CHEBI:68453) has role metabolite (CHEBI:25212)
2-ethyloctanedioic acid (CHEBI:68453) is a α,ω-dicarboxylic acid (CHEBI:28383)
IUPAC Name 
2-ethyloctanedioic acid
Synonym  Source
2-ethylsuberic acidChEBI
Registry NumbersSources
Reaxys:1778835Reaxys
CAS:3971-33-3ChemIDplus
Citations