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CHEBI:27469 - 2-dehydro-D-gluconic acid

ChEBI IDCHEBI:27469
ChEBI Name2-dehydro-D-gluconic acid
Stars
ASCII Name2-dehydro-D-gluconic acid
DefinitionA ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 2 has been oxidised to a keto group.
Secondary ChEBI IDsCHEBI:1180, CHEBI:19669
Last Modified25 January 2016
DownloadsMolfile
FormulaC6H10O7
Net Charge0
Average Mass194.139
Monoisotopic Mass194.04265
SMILESO=C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[AO122h]/1/
InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1
InChIKeyVBUYCZFBVCCYFD-JJYYJPOSSA-N
Species of MetaboliteComponentSourceComments
Serratia marcescens (ncbitaxon:615) - PubMed (14325279)
Klebsiella pneumoniae (ncbitaxon:573) - PubMed (24572278)
Enterobacter aerogenes (ncbitaxon:548) - PubMed (1106345) Strain: NCTA 418
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:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-dehydro-D-gluconic acid (CHEBI:27469) has functional parent D-gluconic acid (CHEBI:33198)
2-dehydro-D-gluconic acid (CHEBI:27469) has role bacterial metabolite (CHEBI:76969)
2-dehydro-D-gluconic acid (CHEBI:27469) is a keto-D-gluconic acid (CHEBI:66938)
2-dehydro-D-gluconic acid (CHEBI:27469) is conjugate acid of 2-dehydro-D-gluconate (CHEBI:16808)
Incoming Relation(s)
2-dehydro-D-glucono-1,5-lactone (CHEBI:27583) has functional parent 2-dehydro-D-gluconic acid (CHEBI:27469)
2-dehydro-3-deoxy-6-phospho-D-gluconic acid (CHEBI:15925) has functional parent 2-dehydro-D-gluconic acid (CHEBI:27469)
6-phospho-2-dehydro-D-gluconic acid (CHEBI:2229) has functional parent 2-dehydro-D-gluconic acid (CHEBI:27469)
2-dehydro-D-gluconate (CHEBI:16808) is conjugate base of 2-dehydro-D-gluconic acid (CHEBI:27469)
IUPAC Name 
D-arabino-hex-2-ulosonic acid
Synonyms  Source
2-Keto-D-gluconic acidKEGG COMPOUND
2-Oxogluconic acidChemIDplus
2-ketogluconic acidChEBI
2-Dehydro-D-gluconateKEGG COMPOUND
2-Dehydro-D-gluconic acidKEGG COMPOUND
Manual XrefsDatabases
C06473KEGG COMPOUND
Registry NumbersSources
Reaxys:1726797Reaxys
CAS:669-90-9KEGG COMPOUND
CAS:669-90-9ChemIDplus
Citations