CHEBI:68453 - 2-ethyloctanedioic acid

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ChEBI Name 2-ethyloctanedioic acid
ChEBI ID CHEBI:68453
Definition An α,ω-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H18O4
Net Charge 0
Average Mass 202.24750
Monoisotopic Mass 202.12051
InChI InChI=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)
InChIKey WUDDSDIHJHPJRP-UHFFFAOYSA-N
SMILES CCC(CCCCCC(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 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 acid ChEBI
Registry Numbers Types Sources
1778835 Reaxys Registry Number Reaxys
3971-33-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
24 October 2012