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CHEBI:85257 - 3-dehydro-D-gluconic acid

ChEBI IDCHEBI:85257
ChEBI Name3-dehydro-D-gluconic acid
Stars
ASCII Name3-dehydro-D-gluconic acid
DefinitionA ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 3 has been oxidised to the corresponding ketone.
Last Modified17 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC6H10O7
Net Charge0
Average Mass194.139
Monoisotopic Mass194.04265
SMILESO=C(O)[C@H](O)C(=O)[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[A2O22h]/1/
InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3-,5-/m1/s1
InChIKeyWTAHRPBPWHCMHW-PAKKCRSFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-dehydro-D-gluconic acid (CHEBI:85257) has functional parent D-gluconic acid (CHEBI:33198)
3-dehydro-D-gluconic acid (CHEBI:85257) is a 3-oxo monocarboxylic acid (CHEBI:47881)
3-dehydro-D-gluconic acid (CHEBI:85257) is a hydroxy monocarboxylic acid (CHEBI:35868)
3-dehydro-D-gluconic acid (CHEBI:85257) is a keto-D-gluconic acid (CHEBI:66938)
3-dehydro-D-gluconic acid (CHEBI:85257) is conjugate acid of 3-dehydro-D-gluconate (CHEBI:85256)
Incoming Relation(s)
3-dehydro-D-gluconate (CHEBI:85256) is conjugate base of 3-dehydro-D-gluconic acid (CHEBI:85257)
IUPAC Name 
D-ribo-hex-3-ulosonic acid
Synonyms  Source
3-ketogluconic acidChEBI
3-keto-D-gluconic acidChEBI