CHEBI:18281 - 2,5-didehydro-D-gluconic acid

ChEBI IDCHEBI:18281
ChEBI Name2,5-didehydro-D-gluconic acid
Stars
ASCII Name2,5-didehydro-D-gluconic acid
Secondary ChEBI IDsCHEBI:1070, CHEBI:19378
Last Modified21 August 2017
DownloadsMolfile
FormulaC6H8O7
Net Charge0
Average Mass192.123
Monoisotopic Mass192.02700
SMILESO=C(O)C(=O)[C@@H](O)[C@H](O)C(=O)CO
WURCSWURCS=2.0/1,1,0/[AO12Oh]/1/
InChIInChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)/t3-,4+/m1/s1
InChIKeyRXMWXENJQAINCC-DMTCNVIQSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
2,5-didehydro-D-gluconic acid (CHEBI:18281) has functional parent D-gluconic acid (CHEBI:33198)
2,5-didehydro-D-gluconic acid (CHEBI:18281) has role Escherichia coli metabolite (CHEBI:76971)
2,5-didehydro-D-gluconic acid (CHEBI:18281) is a diketoaldonic acid (CHEBI:33507)
2,5-didehydro-D-gluconic acid (CHEBI:18281) is conjugate acid of 2,5-didehydro-D-gluconate (CHEBI:11449)
Incoming Relation(s)
2,5-didehydro-D-gluconate (CHEBI:11449) is conjugate base of 2,5-didehydro-D-gluconic acid (CHEBI:18281)
IUPAC Name 
D-threo-hexo-2,5-diulosonic acid
Synonyms  Source
2,5-Diketogluconic acidKEGG COMPOUND
2,5-Dioxo-D-gluconic acidChemIDplus
D-threo-2,5-Hexodiulosonic acidChEBI
2,5-diketo-D-gluconic acidChEBI
Manual XrefsDatabases
C02780KEGG COMPOUND
Registry NumbersSources
CAS:2595-33-7KEGG COMPOUND
CAS:2595-33-7ChemIDplus