5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369)

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ChEBI Name	5-dehydro-4-deoxy-D-glucaric acid

ChEBI ID	CHEBI:16369

ChEBI ASCII Name	5-dehydro-4-deoxy-D-glucaric acid

Definition	An oxo dicarboxylic acid that is derived from 4-deoxy-D-glucaric acid by oxidation of the hydroxy group at position 5 to give the corresponding ketone.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:2048, CHEBI:12117, CHEBI:20561

Supplier Information

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Formula

C6H8O7

Net Charge

Average Mass

192.12350

Monoisotopic Mass

192.02700

InChI

InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4+/m0/s1

InChIKey

QUURPCHWPQNNGL-ZAFYKAAXSA-N

SMILES

O[C@@H](CC(=O)C(O)=O)[C@@H](O)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 )

ChEBI Ontology
Outgoing	5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369) has functional parent D-glucaric acid (CHEBI:16002) 5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369) is a 2-hydroxy carboxylic acid (CHEBI:52618) 5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369) is a 2-hydroxydicarboxylic acid (CHEBI:50263) 5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369) is a 3-hydroxy carboxylic acid (CHEBI:61355) 5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369) is a oxo dicarboxylic acid (CHEBI:36145) 5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369) is conjugate acid of 5-dehydro-4-deoxy-D-glucarate(1−) (CHEBI:35453)

Incoming	5-dehydro-4-deoxy-D-glucarate(1−) (CHEBI:35453) is conjugate base of 5-dehydro-4-deoxy-D-glucaric acid (CHEBI:16369)

IUPAC Name

3-deoxy-L-threo-hex-2-ulosaric acid

Synonym	Source
5-Dehydro-4-deoxy-D-glucarate	KEGG COMPOUND

Registry Number	Type	Source
7581871	Reaxys Registry Number	Reaxys

Last Modified

28 July 2014