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CHEBI:48945 - 2-methylbutan-1-ol

Default Structure
ChEBI IDCHEBI:48945
ChEBI Name2-methylbutan-1-ol
Stars
DefinitionA primary alcohol that is isopentane substituted by a hydroxy group at position 1.
Last Modified10 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H12O
Net Charge0
Average Mass88.150
Monoisotopic Mass88.08882
SMILESCCC(C)CO
InChIInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKeyQPRQEDXDYOZYLA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
2-methylbutan-1-ol (CHEBI:48945) has parent hydride isopentane (CHEBI:30362)
2-methylbutan-1-ol (CHEBI:48945) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-methylbutan-1-ol (CHEBI:48945) is a alkyl alcohol (CHEBI:50584)
2-methylbutan-1-ol (CHEBI:48945) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
2-methylbutyl acetate (CHEBI:50585) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl butanoate (CHEBI:156490) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl decanoate (CHEBI:87330) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl hexanoate (CHEBI:156542) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
(R)-2-methylbutan-1-ol (CHEBI:50624) is a 2-methylbutan-1-ol (CHEBI:48945)
(S)-2-methylbutan-1-ol (CHEBI:50625) is a 2-methylbutan-1-ol (CHEBI:48945)
IUPAC Name 
2-methylbutan-1-ol
Synonyms  Source
2-methyl-1-butanolChemIDplus
2-methylbutanolNIST Chemistry WebBook
2-methyl butanol-1ChemIDplus
2-methylbutyl alcoholChemIDplus
2-methyl-n-butanolChemIDplus
active amyl alcoholNIST Chemistry WebBook
UniProt Name  Source
2-methylbutan-1-olUniProt
Manual XrefsDatabases
CPD-7033MetaCyc
HMDB0031527HMDB
Registry NumbersSources
Reaxys:1718810Reaxys
Gmelin:600874Gmelin
CAS:137-32-6NIST Chemistry WebBook
CAS:137-32-6ChemIDplus
Citations