3,4-dimethoxythiophene-2,5-dicarboxylic acid (CHEBI:228704)

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CHEBI:228704 - 3,4-dimethoxythiophene-2,5-dicarboxylic acid

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ChEBI ID	CHEBI:228704
ChEBI Name	3,4-dimethoxythiophene-2,5-dicarboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H8O6S
Net Charge	0
Average Mass	232.213
Monoisotopic Mass	232.00416
SMILES	COc1c(C(=O)O)sc(C(=O)O)c1OC
InChI	InChI=1S/C8H8O6S/c1-13-3-4(14-2)6(8(11)12)15-5(3)7(9)10/h1-2H3,(H,9,10)(H,11,12)
InChIKey	VJPALIAORYSTKL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3,4-dimethoxythiophene-2,5-dicarboxylic acid (CHEBI:228704) is a thiophenecarboxylic acid (CHEBI:48436)

IUPAC Name
3,4-dimethoxythiophene-2,5-dicarboxylic acid

Manual Xrefs	Databases
2080243	ChemSpider