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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:82956 - 2-ethylhydracrylic acid
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ChEBI Ontology
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ChEBI Name
2-ethylhydracrylic acid
ChEBI ID
CHEBI:82956
Definition
A branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C5H10O3
Net Charge
0
Average Mass
118.13110
Monoisotopic Mass
118.06299
InChI
InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
ZMZQVAUJTDKQGE-UHFFFAOYSA-N
SMILES
CCC(CO)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-ethylhydracrylic acid (
CHEBI:82956
)
has role
human metabolite (
CHEBI:77746
)
2-ethylhydracrylic acid (
CHEBI:82956
)
is a
branched-chain saturated fatty acid (
CHEBI:39417
)
2-ethylhydracrylic acid (
CHEBI:82956
)
is a
hydroxy fatty acid (
CHEBI:24654
)
2-ethylhydracrylic acid (
CHEBI:82956
)
is a
short-chain fatty acid (
CHEBI:26666
)
2-ethylhydracrylic acid (
CHEBI:82956
)
is conjugate acid of
2-ethylhydracrylate (
CHEBI:82955
)
Incoming
2-ethylhydracrylate (
CHEBI:82955
)
is conjugate base of
2-ethylhydracrylic acid (
CHEBI:82956
)
IUPAC Name
2-(hydroxymethyl)butanoic acid
Synonyms
Sources
2-(Hydroxymethyl)-Butyric acid
HMDB
2-Ethylhydracrylic acid
HMDB
3-Hydroxy-2-ethylpropanoic acid
HMDB
beta-Hydroxy-alpha-ethylpropionic acid
HMDB
Manual Xref
Database
HMDB0000396
HMDB
View more database links
Registry Numbers
Types
Sources
1747119
Reaxys Registry Number
Reaxys
4374-62-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1016232
PubMed citation
Europe PMC
15615815
PubMed citation
Europe PMC
4458986
PubMed citation
Europe PMC
759179
PubMed citation
Europe PMC
Last Modified
23 October 2015