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CHEBI:131846 - 2-hydroxy-2-methylpropanal

Default Structure
ChEBI IDCHEBI:131846
ChEBI Name2-hydroxy-2-methylpropanal
Stars
DefinitionA hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2.
Last Modified2 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC4H8O2
Net Charge0
Average Mass88.106
Monoisotopic Mass88.05243
SMILES[H]C(=O)C(C)(C)O
InChIInChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3
InChIKeyHNVAGBIANFAIIL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium sp. (ncbitaxon:1547487) - PubMed (25576605) Strain: ELW1
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-Hydroxy-2-methylpropionaldehydeChemIDplus
2-hydroxyisobutyraldehydeMetaCyc
UniProt Name  Source
2-hydroxy-2-methylpropanalUniProt
Manual XrefsDatabases
CPD-19037MetaCyc
Registry NumbersSources
Reaxys:773741Reaxys
CAS:20818-81-9ChemIDplus
Citations