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CHEBI:18351 - 4-hydroxyhexan-3-one

ChEBI IDCHEBI:18351
ChEBI Name4-hydroxyhexan-3-one
Stars
DefinitionA hexanone that is hexan-3-one substituted by a hydroxy group at position 4.
Secondary ChEBI IDsCHEBI:1866, CHEBI:11995, CHEBI:20379
Last Modified22 March 2018
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCC(=O)C(O)CC
InChIInChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
InChIKeySKCYVGUCBRYGTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxyhexan-3-one (CHEBI:18351) is a hexanone (CHEBI:24573)
4-hydroxyhexan-3-one (CHEBI:18351) is a secondary alcohol (CHEBI:35681)
4-hydroxyhexan-3-one (CHEBI:18351) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
4-hydroxyhexan-3-one
Synonyms  Source
4-Hydroxy-3-hexanoneKEGG COMPOUND
4-Hydroxyhexan-3-oneKEGG COMPOUND
PropioinKEGG COMPOUND
UniProt Name  Source
4-hydroxyhexan-3-oneUniProt
Manual XrefsDatabases
C02948KEGG COMPOUND
C02948KEGG COMPOUND
CPD-1132MetaCyc
LMFA12000029LIPID MAPS
Registry NumbersSources
Reaxys:1560286Reaxys
CAS:4984-85-4KEGG COMPOUND
Citations