CHEBI:82956 - 2-ethylhydracrylic acid

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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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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:txidtxid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted 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
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Registry Numbers Types Sources
1747119 Reaxys Registry Number Reaxys
4374-62-3 CAS Registry Number ChemIDplus
Citations Waiting for 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