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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:18351 - 4-hydroxyhexan-3-one
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ChEBI Name
4-hydroxyhexan-3-one
ChEBI ID
CHEBI:18351
Definition
A hexanone that is hexan-3-one substituted by a hydroxy group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11995, CHEBI:1866, CHEBI:20379
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Formula
C6H12O2
Net Charge
0
Average Mass
116.15828
Monoisotopic Mass
116.08373
InChI
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
InChIKey
SKCYVGUCBRYGTE-UHFFFAOYSA-N
SMILES
CCC(O)C(=O)CC
ChEBI Ontology
Outgoing
4-hydroxyhexan-3-one (
CHEBI:18351
)
is a
hexanone (
CHEBI:24573
)
4-hydroxyhexan-3-one (
CHEBI:18351
)
is a
secondary α-hydroxy ketone (
CHEBI:2468
)
4-hydroxyhexan-3-one (
CHEBI:18351
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
4-hydroxyhexan-3-one
Synonyms
Sources
4-Hydroxy-3-hexanone
KEGG COMPOUND
4-Hydroxyhexan-3-one
KEGG COMPOUND
4-hydroxyhexan-3-one
UniProt
Propioin
KEGG COMPOUND
Manual Xrefs
Databases
C02948
KEGG COMPOUND
CPD-1132
MetaCyc
LMFA12000029
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1560286
Reaxys Registry Number
Reaxys
4984-85-4
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
17497614
PubMed citation
Europe PMC
19224568
PubMed citation
Europe PMC
Last Modified
22 March 2018