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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

ChEBI Ontology
IUPAC Name 
2-methylpropan-1-ol
Synonyms  Source
2-methyl-1-propanolNIST Chemistry WebBook
isobutyl alcoholChemIDplus
1-hydroxymethylpropaneChemIDplus
isobutanolChemIDplus
isopropylcarbinolNIST Chemistry WebBook
iso-C4H9OHNIST Chemistry WebBook
UniProt Name  Source
isobutanolUniProt
Manual XrefsDatabases
C14710KEGG COMPOUND
HMDB0006006HMDB
IsobutanolWikipedia
YMDB00573YMDB
Registry NumbersSources
Gmelin:49282Gmelin
Reaxys:1730878Reaxys
CAS:78-83-1NIST Chemistry WebBook
CAS:78-83-1ChemIDplus
CAS:78-83-1KEGG COMPOUND
Citations