CHEBI:46645 - isobutanol

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ChEBI Name isobutanol
ChEBI ID CHEBI:46645
Definition An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H10O
Net Charge 0
Average Mass 74.12160
Monoisotopic Mass 74.073
InChI InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
SMILES CC(C)CO
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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ChEBI Ontology
Outgoing 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 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 Sources
1-hydroxymethylpropane ChemIDplus
1-Hydroxymethylpropane KEGG COMPOUND
2-methyl-1-propanol NIST Chemistry WebBook
2-Methyl-1-propanol KEGG COMPOUND
2-methylpropanol NIST Chemistry WebBook
i-Butanol NIST Chemistry WebBook
i-Butyl alcohol NIST Chemistry WebBook
IBA NIST Chemistry WebBook
iso-butyl alcohol ChemIDplus
iso-C4H9OH NIST Chemistry WebBook
isobutanol ChemIDplus
isobutyl alcohol ChemIDplus
Isobutylalkohol NIST Chemistry WebBook
isopropylcarbinol NIST Chemistry WebBook
Database Links Databases
C14710 KEGG COMPOUND
HMDB06006 HMDB
Isobutanol Wikipedia
YMDB00573 YMDB
View more database links
Registry Numbers Types Sources
1730878 Beilstein Registry Number ChemIDplus
1730878 Reaxys Registry Number Reaxys
49282 Gmelin Registry Number Gmelin
78-83-1 CAS Registry Number NIST Chemistry WebBook
78-83-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24305546 PubMed citation Europe PMC
24430208 PubMed citation Europe PMC
Last Modified
12 May 2016