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ChEBI
> Main
CHEBI:741548 - ethylmalonic acid
Main
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ChEBI Name
ethylmalonic acid
ChEBI ID
CHEBI:741548
Definition
A dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8O4
Net Charge
0
Average Mass
132.11460
Monoisotopic Mass
132.04226
InChI
InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
SMILES
CCC(C(O)=O)C(O)=O
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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ethylmalonic acid (
CHEBI:741548
)
has functional parent
malonic acid (
CHEBI:30794
)
ethylmalonic acid (
CHEBI:741548
)
has role
human metabolite (
CHEBI:77746
)
ethylmalonic acid (
CHEBI:741548
)
is a
dicarboxylic acid (
CHEBI:35692
)
ethylmalonic acid (
CHEBI:741548
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
ethylmalonic acid (
CHEBI:741548
)
is conjugate acid of
ethylmalonate (
CHEBI:132938
)
ethylmalonic acid (
CHEBI:741548
)
is conjugate acid of
ethylmalonate(2−) (
CHEBI:132939
)
Incoming
(
R
)-ethylmalonyl-CoA (
CHEBI:85803
)
has functional parent
ethylmalonic acid (
CHEBI:741548
)
(
S
)-ethylmalonyl-CoA (
CHEBI:60907
)
has functional parent
ethylmalonic acid (
CHEBI:741548
)
ethylmalonate (
CHEBI:132938
)
is conjugate base of
ethylmalonic acid (
CHEBI:741548
)
ethylmalonate(2−) (
CHEBI:132939
)
is conjugate base of
ethylmalonic acid (
CHEBI:741548
)
IUPAC Name
ethylpropanedioic acid
Synonyms
Sources
1,1-propanedicarboxylic acid
ChemIDplus
2-ethylmalonic acid
NIST Chemistry WebBook
α-carboxybutyric acid
ChemIDplus
Manual Xref
Database
HMDB0000622
HMDB
View more database links
Registry Numbers
Types
Sources
516-05-2
CAS Registry Number
ChemIDplus
601-75-2
CAS Registry Number
ChemIDplus
601-75-2
CAS Registry Number
NIST Chemistry WebBook
774334
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12061367
PubMed citation
Europe PMC
1269146
PubMed citation
Europe PMC
14595061
PubMed citation
Europe PMC
14732903
PubMed citation
Europe PMC
15096407
PubMed citation
Europe PMC
16773466
PubMed citation
Europe PMC
19212411
PubMed citation
Europe PMC
20187168
PubMed citation
Europe PMC
22133302
PubMed citation
Europe PMC
23161776
PubMed citation
Europe PMC
6860317
PubMed citation
Europe PMC
7776094
PubMed citation
Europe PMC
8087979
PubMed citation
Europe PMC
9439441
PubMed citation
Europe PMC
Last Modified
24 February 2022