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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:167644 - 2-methylvaleric acid
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ChEBI Name
2-methylvaleric acid
ChEBI ID
CHEBI:167644
Definition
A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H12O2
Net Charge
0
Average Mass
116.160
Monoisotopic Mass
116.08373
InChI
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey
OVBFMEVBMNZIBR-UHFFFAOYSA-N
SMILES
CCCC(C)C(O)=O
Metabolite of Species
Details
Salix
sp.
(NCBI:txid65566)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-methylvaleric acid (
CHEBI:167644
)
has role
flavouring agent (
CHEBI:35617
)
2-methylvaleric acid (
CHEBI:167644
)
has role
fragrance (
CHEBI:48318
)
2-methylvaleric acid (
CHEBI:167644
)
has role
plant metabolite (
CHEBI:76924
)
2-methylvaleric acid (
CHEBI:167644
)
is a
branched-chain saturated fatty acid (
CHEBI:39417
)
2-methylvaleric acid (
CHEBI:167644
)
is a
methyl-branched fatty acid (
CHEBI:62499
)
2-methylvaleric acid (
CHEBI:167644
)
is a
monocarboxylic acid (
CHEBI:25384
)
2-methylvaleric acid (
CHEBI:167644
)
is a
short-chain fatty acid (
CHEBI:26666
)
2-methylvaleric acid (
CHEBI:167644
)
is conjugate acid of
2-methylvalerate (
CHEBI:167611
)
Incoming
2-methylvalerate (
CHEBI:167611
)
is conjugate base of
2-methylvaleric acid (
CHEBI:167644
)
IUPAC Name
2-methylpentanoic acid
Synonyms
Sources
2-methyl-n-valeric acid
NIST Chemistry WebBook
2-pentanecarboxylic acid
ChemIDplus
α-methylvaleric acid
ChemIDplus
FEMA 2754
ChemIDplus
methylpropylacetic acid
ChemIDplus
Manual Xrefs
Databases
7064
ChemSpider
FDB008203
FooDB
LMFA01020074
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1720658
Reaxys Registry Number
Reaxys
97-61-0
CAS Registry Number
NIST Chemistry WebBook
97-61-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
20860033
PubMed citation
Europe PMC
29935244
PubMed citation
Europe PMC
7630382
PubMed citation
Europe PMC
869521
PubMed citation
Europe PMC
Last Modified
12 March 2021