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> Main
CHEBI:82344 - Methyl isobutyl ketone
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ChEBI Name
Methyl isobutyl ketone
ChEBI ID
CHEBI:82344
Stars
This entity has been manually annotated by a third party.
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Formula
C6H12O
Net Charge
0
Average Mass
100.15890
Monoisotopic Mass
100.08882
InChI
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChIKey
NTIZESTWPVYFNL-UHFFFAOYSA-N
SMILES
CC(C)CC(C)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
ChEBI Ontology
Outgoing
Methyl isobutyl ketone (
CHEBI:82344
)
is a
ketone (
CHEBI:17087
)
Synonyms
Sources
2-Methyl-4-pentanal
HMDB
2-Methyl-4-pentanone
HMDB
2-Methylpropyl methyl ketone
HMDB
4-Methyl-2-oxopentane
HMDB
4-Methyl-2-pentanon
HMDB
4-Methyl-2-pentanone
HMDB
4-Methyl-pentan-2-on
HMDB
4-methylpentan-2-one
UniProt
4-methylpentan-2-one
HMDB
4-Methylpentan-2-one
HMDB
4-Metilpentan-2-one
HMDB
Ethyl iso-butyl ketone
HMDB
Hexanone
HMDB
Hexon
HMDB
Hexone
HMDB
Isobutyl methyl ketone
HMDB
Isobutyl-methylketon
HMDB
Isohexanone
HMDB
Isopropyl acetone
HMDB
Isopropylacetone
HMDB
Methyl I-butyl ketone
HMDB
Methyl-isobutyl-cetone
HMDB
Methylisobutylketon
HMDB
Methylpentan-2-one
HMDB
Metilisobutilchetone
HMDB
Metyloizobutyloketon
HMDB
Shell mibk
HMDB
Manual Xrefs
Databases
1303
PPDB
C19263
KEGG COMPOUND
D04989
KEGG DRUG
HMDB0002939
HMDB
Methyl isobutyl ketone
Wikipedia
View more database links
Registry Number
Type
Source
108-10-1
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
12592578
PubMed citation
Europe PMC
16464817
PubMed citation
Europe PMC
17314143
PubMed citation
Europe PMC
17485256
PubMed citation
Europe PMC
22284503
PubMed citation
Europe PMC
24657864
PubMed citation
Europe PMC
5556886
PubMed citation
Europe PMC
7987494
PubMed citation
Europe PMC
Last Modified
25 September 2023