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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
Average Mass 192.12350
Monoisotopic Mass 192.027
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 )
View more via ChEBI Ontology
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
Database Links Databases
C00679 KEGG COMPOUND
GLR PDBeChem
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Registry Number Type Source
7581871 Reaxys Registry Number Reaxys
Last Modified
28 July 2014