CHEBI:80587 - 2-oxosuberic acid

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ChEBI Name 2-oxosuberic acid ChEBI ID CHEBI:80587 Definition An oxo dicarboxylic acid that is suberic acid substituted by an oxo group at position 2. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H12O5 Net Charge 0 Average Mass 188.179 Monoisotopic Mass 188.06847 InChI InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13) InChIKey HAGOOZVJLSSXGZ-UHFFFAOYSA-N SMILES OC(=O)CCCCCC(=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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-oxosuberic acid (CHEBI:80587) has functional parent suberic acid (CHEBI:9300) 2-oxosuberic acid (CHEBI:80587) is a oxo dicarboxylic acid (CHEBI:36145) 2-oxosuberic acid (CHEBI:80587) is conjugate acid of 2-oxosuberate(2−) (CHEBI:177882) Incoming 2-oxosuberate(2−) (CHEBI:177882) is conjugate base of 2-oxosuberic acid (CHEBI:80587) IUPAC Name 2-oxooctanedioic acid Synonyms Sources 2-ketosuberic acid ChEBI 2-oxosuberic acid ChEBI α-ketosuberic acid ChemIDplus α-oxosuberic acid ChEBI Manual Xrefs Databases 129557 ChemSpider C00000773 KNApSAcK C16589 KEGG COMPOUND View more database links Registry Numbers Types Sources 1778635 Reaxys Registry Number Reaxys 96406-05-2 CAS Registry Number ChemIDplus Citations Types Sources 18765671 PubMed citation Europe PMC 32633484 PubMed citation Europe PMC Last Modified 19 August 2021