CHEBI:31074 - 2,5-dichloro-4-oxohex-2-enedioic acid

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ChEBI Name 2,5-dichloro-4-oxohex-2-enedioic acid
ChEBI ID CHEBI:31074
Definition An α,ω-dicarboxylic acid that is hexanedioic acid containing a double bond between positions 2 and 3, an oxo group at position 4, and two chlorine atoms (at positions 2 and 5).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H4Cl2O5
Net Charge 0
Average Mass 226.99836
Monoisotopic Mass 225.94358
InChI InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)
InChIKey PLPVRWUZGSFJJB-UHFFFAOYSA-N
SMILES [H]C(C(=O)C(Cl)C(O)=O)=C(Cl)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 )
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ChEBI Ontology
Outgoing 2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) has functional parent 4-oxohex-2-enedioic acid (CHEBI:19672)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is a α,ω-dicarboxylic acid (CHEBI:28383)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is a organochlorine compound (CHEBI:36683)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is a oxo dicarboxylic acid (CHEBI:36145)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is conjugate acid of 2,5-dichloro-4-oxohex-2-enedioate(2−) (CHEBI:19373)
Incoming 2,5-dichloro-4-oxohex-2-enedioate(2−) (CHEBI:19373) is conjugate base of 2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074)
IUPAC Name
2,5-dichloro-4-oxohex-2-enedioic acid
Synonym Source
2,5-Dichloro-4-oxohex-2-enedioate KEGG COMPOUND
Manual Xref Database
C12835 KEGG COMPOUND
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Last Modified
18 March 2011