CHEBI:17426 - 5-dehydro-D-gluconic acid

ChEBI IDCHEBI:17426
ChEBI Name5-dehydro-D-gluconic acid
Stars
ASCII Name5-dehydro-D-gluconic acid
Secondary ChEBI IDsCHEBI:2051, CHEBI:12120, CHEBI:12121, CHEBI:20564
Last Modified18 July 2017
DownloadsMolfile
FormulaC6H10O7
Net Charge0
Average Mass194.139
Monoisotopic Mass194.04265
SMILESO=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
WURCSWURCS=2.0/1,1,0/[A212Oh]/1/
InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/t3-,4+,5-/m1/s1
InChIKeyIZSRJDGCGRAUAR-MROZADKFSA-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)
5-dehydro-D-gluconic acid (CHEBI:17426) has functional parent D-gluconic acid (CHEBI:33198)
5-dehydro-D-gluconic acid (CHEBI:17426) has role Escherichia coli metabolite (CHEBI:76971)
5-dehydro-D-gluconic acid (CHEBI:17426) is a hexonic acid (CHEBI:33752)
5-dehydro-D-gluconic acid (CHEBI:17426) is a ketoaldonic acid (CHEBI:24963)
5-dehydro-D-gluconic acid (CHEBI:17426) is conjugate acid of 5-dehydro-D-gluconate (CHEBI:58143)
5-dehydro-D-gluconic acid (CHEBI:17426) is enantiomer of 5-dehydro-L-gluconic acid (CHEBI:137932)
Incoming Relation(s)
5-dehydro-D-gluconate (CHEBI:58143) is conjugate base of 5-dehydro-D-gluconic acid (CHEBI:17426)
5-dehydro-L-gluconic acid (CHEBI:137932) is enantiomer of 5-dehydro-D-gluconic acid (CHEBI:17426)
IUPAC Name 
D-xylo-hex-5-ulosonic acid
Synonyms  Source
5-Dehydro-D-gluconateKEGG COMPOUND
5-DehydrogluconateKEGG COMPOUND
5-dehydro-D-gluconateChEBI
Manual XrefsDatabases
C01062KEGG COMPOUND
C01062KEGG COMPOUND