CHEBI:149587 - 2-chloro-3-oxoadipate

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ChEBI Name 2-chloro-3-oxoadipate ChEBI ID CHEBI:149587 Definition An oxo dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2-chloro-3-oxoadipic acid. Major species at pH 7.3. 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 C6H5ClO5 Net Charge -2 Average Mass 192.550 Monoisotopic Mass 191.98365 InChI InChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)/p-2 InChIKey YJYHEBUTQYISNJ-UHFFFAOYSA-L SMILES [O-]C(=O)CCC(=O)C(C([O-])=O)Cl ChEBI Ontology Outgoing 2-chloro-3-oxoadipate (CHEBI:149587) is a oxo dicarboxylic acid dianion (CHEBI:133294) 2-chloro-3-oxoadipate (CHEBI:149587) is conjugate base of 2-chloro-3-oxoadipic acid (CHEBI:19500) Incoming 2-chloro-3-oxoadipic acid (CHEBI:19500) is conjugate acid of 2-chloro-3-oxoadipate (CHEBI:149587) IUPAC Name 2-chloro-3-oxohexanedioate Synonym Source 2-chloro-3-keto-adipate ChEBI Manual Xref Database c0490 UM-BBD View more database links Citations Types Sources 16348484 PubMed citation Europe PMC 29137138 PubMed citation Europe PMC Last Modified 27 April 2020