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> Main
CHEBI:58992 - 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid
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ChEBI Name
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid
ChEBI ID
CHEBI:58992
Definition
A monocarboxylic acid consisting of valeric acid having a 2,3-dimethoxy-4-methylphenyl group attached to C-5.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H20O4
Net Charge
0
Average Mass
252.30620
Monoisotopic Mass
252.13616
InChI
InChI=1S/C14H20O4/c1-10-8-9-11(6-4-5-7-12(15)16)14(18-3)13(10)17-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKey
LLBWHJKXNZPCGO-UHFFFAOYSA-N
SMILES
COc1c(C)ccc(CCCCC(O)=O)c1OC
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (
CHEBI:58992
)
has functional parent
valeric acid (
CHEBI:17418
)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (
CHEBI:58992
)
is a
monocarboxylic acid (
CHEBI:25384
)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (
CHEBI:58992
)
is conjugate acid of
5-(2,3-dimethoxy-4-methylphenyl)pentanoate (
CHEBI:58993
)
Incoming
5-(2,3-dimethoxy-4-methylphenyl)pentanoate (
CHEBI:58993
)
is conjugate base of
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (
CHEBI:58992
)
IUPAC Name
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid
Synonym
Source
6-methyl catacid
ChEBI
Registry Number
Type
Source
8270029
Reaxys Registry Number
Reaxys
Citation
Type
Source
10651166
PubMed citation
Europe PMC
Last Modified
21 December 2015