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CHEBI:60777 - 3-deoxyglucosone

ChEBI IDCHEBI:60777
ChEBI Name3-deoxyglucosone
Stars
DefinitionA deoxyketohexose comprising the open-chain form of D-glucose lacking the -OH group at the 3-position and having the keto group at the 2-position.
Last Modified12 December 2018
Submitterzjosephs
DownloadsMolfile
FormulaC6H10O5
Net Charge0
Average Mass162.141
Monoisotopic Mass162.05282
SMILES[H]C(=O)C(=O)C[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[oOd22h]/1/
InChIInChI=1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6+/m0/s1
InChIKeyZGCHLOWZNKRZSN-NTSWFWBYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-deoxyglucosone (CHEBI:60777) is a deoxyglucose (CHEBI:23623)
3-deoxyglucosone (CHEBI:60777) is a deoxyketohexose (CHEBI:24965)
IUPAC Name 
3-deoxy-D-erythro-hexos-2-ulose
Synonyms  Source
3-deoxy-erythro-hexos-2-uloseChEBI
3-deoxy-D-fructoseChEBI
3-deoxy-D-erythro-hexuloseChEBI
3-deoxy-2-ketoglucoseChEBI
3-deoxy-D-erythro-hexosuloseChemIDplus
3-Deoxy-D-glucosoneChemIDplus
UniProt Name  Source
3-deoxyglucosoneUniProt
Registry NumbersSources
Reaxys:2325947Reaxys
CAS:4084-27-9ChemIDplus
Citations