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> Main
CHEBI:131846 - 2-hydroxy-2-methylpropanal
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ChEBI Name
2-hydroxy-2-methylpropanal
ChEBI ID
CHEBI:131846
Definition
A hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C4H8O2
Net Charge
0
Average Mass
88.105
Monoisotopic Mass
88.05243
InChI
InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3
InChIKey
HNVAGBIANFAIIL-UHFFFAOYSA-N
SMILES
[H]C(C(C)(O)C)=O
Metabolite of Species
Details
Mycobacterium
sp.
(NCBI:txid1547487)
of strain ELW1 See:
PubMed
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
has functional parent
isobutyraldehyde (
CHEBI:48943
)
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
has parent hydride
isobutane (
CHEBI:30363
)
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
is a
hydroxyaldehyde (
CHEBI:50413
)
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
is a
propanals (
CHEBI:26282
)
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
2-hydroxy-2-methylpropanal
Synonyms
Sources
2-hydroxy-2-methylpropanal
UniProt
2-Hydroxy-2-methylpropionaldehyde
ChemIDplus
2-hydroxyisobutyraldehyde
MetaCyc
Manual Xref
Database
CPD-19037
MetaCyc
View more database links
Registry Numbers
Types
Sources
20818-81-9
CAS Registry Number
ChemIDplus
773741
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12019977
PubMed citation
Europe PMC
14594376
PubMed citation
Europe PMC
19673246
PubMed citation
Europe PMC
19785114
PubMed citation
Europe PMC
25576605
PubMed citation
SUBMITTER
Last Modified
02 June 2016