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CHEBI:46645 - isobutanol

ChEBI IDCHEBI:46645
ChEBI Nameisobutanol
Stars
DefinitionAn alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.
Last Modified9 July 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H10O
Net Charge0
Average Mass74.123
Monoisotopic Mass74.07316
SMILESCC(C)CO
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932)
- PubMed (24305546)
- 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)
isobutanol (CHEBI:46645) has parent hydride isobutane (CHEBI:30363)
isobutanol (CHEBI:46645) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
isobutanol (CHEBI:46645) is a alkyl alcohol (CHEBI:50584)
isobutanol (CHEBI:46645) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
diisobutyl phthalate (CHEBI:79053) has functional parent isobutanol (CHEBI:46645)
isobutyl acetate (CHEBI:50569) has functional parent isobutanol (CHEBI:46645)
isobutyl benzoate (CHEBI:87500) has functional parent isobutanol (CHEBI:46645)
isobutyl butyrate (CHEBI:87683) has functional parent isobutanol (CHEBI:46645)
isobutyl decanoate (CHEBI:87570) has functional parent isobutanol (CHEBI:46645)
isobutyl hexanoate (CHEBI:87421) has functional parent isobutanol (CHEBI:46645)
isobutyl nitrite (CHEBI:46643) has functional parent isobutanol (CHEBI:46645)
monoisobutyl phthalate (CHEBI:90038) has functional parent isobutanol (CHEBI:46645)
IUPAC Name 
2-methylpropan-1-ol
Synonyms  Source
1-hydroxymethylpropaneChemIDplus
1-HydroxymethylpropaneKEGG COMPOUND
2-methyl-1-propanolNIST Chemistry WebBook
2-Methyl-1-propanolKEGG COMPOUND
2-methylpropanolNIST Chemistry WebBook
IBANIST Chemistry WebBook
UniProt Name  Source
isobutanolUniProt
Manual XrefsDatabases
C14710KEGG COMPOUND
HMDB0006006HMDB
IsobutanolWikipedia
YMDB00573YMDB
Registry NumbersSources
Reaxys:1730878Reaxys
Gmelin:49282Gmelin
CAS:78-83-1ChemIDplus
CAS:78-83-1NIST Chemistry WebBook
CAS:78-83-1KEGG COMPOUND
Citations