isobutanol (CHEBI:46645)

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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

Average Mass

74.12160

Monoisotopic Mass

74.07316

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:txid4932)	See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	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 ).

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

Last Modified

09 July 2020