(2E)-2,5-Dichloro-4-oxo-2-hexenedioic acid (CHEBI:177587)

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CHEBI:177587 - (2E)-2,5-Dichloro-4-oxo-2-hexenedioic acid

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ChEBI ID	CHEBI:177587
ChEBI Name	(2E)-2,5-Dichloro-4-oxo-2-hexenedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C6H4Cl2O5
Net Charge	0
Average Mass	226.999
Monoisotopic Mass	225.94358
SMILES	O=C(O)/C(Cl)=C\C(=O)C(Cl)C(=O)O
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)/b2-1+
InChIKey	PLPVRWUZGSFJJB-OWOJBTEDSA-N

Species of Metabolite	Component	Source	Comments
Sus scrofa (ncbitaxon:9823)	sausage (ENVO:00002166)	MetaboLights (MTBLS2871)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(2E)-2,5-Dichloro-4-oxo-2-hexenedioic acid (CHEBI:177587) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
(E)-2,5-dichloro-4-oxohex-2-enedioic acid

Manual Xrefs	Databases
LMFA01090152	LIPID MAPS
4445367	ChemSpider
C12835	KEGG COMPOUND
HMDB0060363	HMDB