6,7-dihydroxy-4-oxo-2-heptenoic acid (CHEBI:180161)

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CHEBI:180161 - 6,7-dihydroxy-4-oxo-2-heptenoic acid

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ChEBI ID	CHEBI:180161
ChEBI Name	6,7-dihydroxy-4-oxo-2-heptenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H10O5
Net Charge	0
Average Mass	174.152
Monoisotopic Mass	174.05282
SMILES	O=C(O)/C=C/C(=O)CC(O)CO
InChI	InChI=1S/C7H10O5/c8-4-6(10)3-5(9)1-2-7(11)12/h1-2,6,8,10H,3-4H2,(H,11,12)/b2-1+
InChIKey	HBKNKDDAXCBQRH-OWOJBTEDSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	6,7-dihydroxy-4-oxo-2-heptenoic acid (CHEBI:180161) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
(E)-6,7-dihydroxy-4-oxohept-2-enoic acid

Manual Xrefs	Databases
LMFA01050242	LIPID MAPS
4472221	ChemSpider