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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:46645 - isobutanol
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ChEBI Ontology
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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
74.07316
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
).
View more via ChEBI Ontology
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-C
4
H
9
OH
NIST Chemistry WebBook
isobutanol
UniProt
isobutanol
ChemIDplus
isobutyl alcohol
ChemIDplus
Isobutylalkohol
NIST Chemistry WebBook
isopropylcarbinol
NIST Chemistry WebBook
Manual Xrefs
Databases
C14710
KEGG COMPOUND
HMDB0006006
HMDB
Isobutanol
Wikipedia
YMDB00573
YMDB
View more database links
Registry Numbers
Types
Sources
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
Types
Sources
24305546
PubMed citation
Europe PMC
24430208
PubMed citation
Europe PMC
Last Modified
09 July 2020