CHEBI:42819 - 5-dehydro-4-deoxy-D-glucarate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-dehydro-4-deoxy-D-glucarate(2−)
ChEBI ID CHEBI:42819
ChEBI ASCII Name 5-dehydro-4-deoxy-D-glucarate(2-)
Definition A dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucarate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35454, CHEBI:42815, CHEBI:43704
Supplier Information No supplier information found for this compound.
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Formula C6H6O7
Net Charge -2
Average Mass 190.10760
Monoisotopic Mass 190.01245
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)/p-2/t2-,4+/m0/s1
InChIKey QUURPCHWPQNNGL-ZAFYKAAXSA-L
SMILES O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O
ChEBI Ontology
Outgoing 5-dehydro-4-deoxy-D-glucarate(2−) (CHEBI:42819) has functional parent D-glucarate(2−) (CHEBI:30612)
5-dehydro-4-deoxy-D-glucarate(2−) (CHEBI:42819) is a dicarboxylic acid dianion (CHEBI:28965)
5-dehydro-4-deoxy-D-glucarate(2−) (CHEBI:42819) is conjugate base of 5-dehydro-4-deoxy-D-glucarate(1−) (CHEBI:35453)
Incoming 5-dehydro-4-deoxy-D-glucarate(1−) (CHEBI:35453) is conjugate acid of 5-dehydro-4-deoxy-D-glucarate(2−) (CHEBI:42819)
IUPAC Name
3-deoxy-L-threo-hex-2-ulosarate
Synonyms Sources
2,3-DIHYDROXY-5-OXO-HEXANEDIOATE PDBeChem
3-deoxy-(L)-threo-2-hexulosarate MetaCyc
5-Dehydro-4-deoxy-D-glucarate KEGG COMPOUND
5-dehydro-4-deoxy-D-glucarate UniProt
5-KDG MetaCyc
Manual Xrefs Databases
5-KETO-4-DEOXY-D-GLUCARATE MetaCyc
C00679 KEGG COMPOUND
DB03237 DrugBank
View more database links
Last Modified
29 March 2017