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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:48943 - isobutyraldehyde
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ChEBI Ontology
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ChEBI Name
isobutyraldehyde
ChEBI ID
CHEBI:48943
Definition
A member of the class of propanals that is propanal substituted by a methyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C4H8O
Net Charge
0
Average Mass
72.10572
Monoisotopic Mass
72.05751
InChI
InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKey
AMIMRNSIRUDHCM-UHFFFAOYSA-N
SMILES
[H]C(=O)C(C)C
Metabolite of Species
Details
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
isobutyraldehyde (
CHEBI:48943
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
isobutyraldehyde (
CHEBI:48943
)
is a
2-methyl-branched fatty aldehyde (
CHEBI:49188
)
isobutyraldehyde (
CHEBI:48943
)
is a
propanals (
CHEBI:26282
)
Incoming
2-hydroxy-2-methylpropanal (
CHEBI:131846
)
has functional parent
isobutyraldehyde (
CHEBI:48943
)
2-methylpropanal oxime (
CHEBI:17502
)
has functional parent
isobutyraldehyde (
CHEBI:48943
)
IUPAC Name
2-methylpropanal
Synonyms
Sources
2-methylpropanal
UniProt
2-methylpropionaldehyde
ChemIDplus
α-methylpropionaldehyde
NIST Chemistry WebBook
isobutanal
ChemIDplus
isobutylaldehyde
ChemIDplus
isobutyric aldehyde
ChemIDplus
Manual Xrefs
Databases
CPD-7000
MetaCyc
HMDB0031243
HMDB
Isobutyraldehyde
Wikipedia
WO2013192237
Patent
View more database links
Registry Numbers
Types
Sources
1658
Gmelin Registry Number
Gmelin
605330
Reaxys Registry Number
Reaxys
78-84-2
CAS Registry Number
NIST Chemistry WebBook
78-84-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22731523
PubMed citation
Europe PMC
22974724
PubMed citation
Europe PMC
24397404
PubMed citation
Europe PMC
Last Modified
14 December 2016